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Chemical ID: 5644928

Chemical ID:

5644928

Name [?]:

6-methoxy-2-phenyl-4-(1-piperidyl)quinazoline

SMILES [?]:

COc1ccc2c(c1)c(nc(n2)c3ccccc3)N4CCCCC4

InChi [?]:

InChI=1/C20H21N3O/c1-24-16-10-11-18-17(14-16)20(23-12-6-3-7-13-23)22-19(21-18)15-8-4-2-5-9-15/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,16,22,15,17,21,23,14,18,4,5,20,24,8,13,3,7,6,11,9,12,10,19,2/E:(4,5)(6,7)(8,9)(12,13)/rA:24nCOCCCCCCCNCNCCCCCCNCCCCC/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s11;s13;d14;s15;d16;d13s17;s9;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₁N₃O
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1535
Area:	514.248
Solvation:	-2.70274
Coulombic:	-27.9192

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	319.4
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.83
LogP (Chemaxon):	4.79

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value