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Chemical ID: 4567142

Chemical ID:

4567142

Name [?]:

2-(3-methoxy-4-propoxy-phenyl)-3-propyl-1,2-dihydroquinazolin-4-one

SMILES [?]:

CCCN1C(Nc2ccccc2C1=O)c3ccc(c(c3)OC)OCCC

InChi [?]:

InChI=1/C21H26N2O3/c1-4-12-23-20(22-17-9-7-6-8-16(17)21(23)24)15-10-11-18(26-13-5-2)19(14-15)25-3/h6-11,14,20,22H,4-5,12-13H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,26,22,2,25,10,9,11,8,16,17,3,24,20,15,12,7,18,19,5,13,6,4,14,21,23/rA:26cCCCNCNCCCCCCCOCCCCCCOCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s4s12;d13;s5;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆N₂O₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	1

ZAP Information [?]

Total:	9.13315
Area:	569.529
Solvation:	-5.10506
Coulombic:	-45.5718

Bond Count [?]

All:	28
Single:	21
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	354.443
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.08
LogP (Chemaxon):	4.47

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value