Chemical ID: 3902695

CCN1CCCC1CN(Cc2cc3cc(cc(c3[nH]c2=O)C)C)C(=O)Nc4cccc(c4)Cl
Chemical ID:
3902695
Name [?]:
3-(3-chlorophenyl)-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]urea
SMILES [?]:
CCN1CCCC1CN(Cc2cc3cc(cc(c3[nH]c2=O)C)C)C(=O)Nc4cccc(c4)Cl
InChi [?]:
InChI=1/C26H31ClN4O2/c1-4-30-10-6-9-23(30)16-31(26(33)28-22-8-5-7-21(27)14-22)15-20-13-19-12-17(2)11-18(3)24(19)29-25(20)32/h5,7-8,11-14,23H,4,6,9-10,15-16H2,1-3H3,(H,28,33)(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,23,22,2,29,5,30,28,6,4,16,14,12,32,10,8,15,17,13,11,31,27,7,18,20,24,33,26,19,3,9,21,25/rA:33cCCNCCCCCNCCCCCCCCCNCOCCCONCCCCCCCl/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;d20;s17;s15;s9;d24;s24;s26;s27;d28;s29;d30;d27s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31ClN4O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:14.4134
Area:695.403
Solvation:-2.97163
Coulombic:-58.1617
Bond Count [?]
All:36
Single:27
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:467.003
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.01
LogP (Chemaxon):5.43

Name Annotations

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Descriptor Annotations

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