1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea

C31H26Cl2N4O2 — CID 3188343

IUPAC1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
SMILESCCCc1nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2c(=O)n1Cc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C31H26Cl2N4O2/c1-2-5-29-36-28-17-16-24(35-31(39)34-23-14-12-22(32)13-15-23)18-26(28)30(38)37(29)19-20-8-10-21(11-9-20)25-6-3-4-7-27(25)33/h3-4,6-18H,2,5,19H2,1H3,(H2,34,35,39)
InChIKeyOJLXRMIDMACNEM-UHFFFAOYSA-N
MW557.48 g/mol
LogP8.02
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea

1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea (PubChem CID 3188343) has the molecular formula C31H26Cl2N4O2 and a molecular weight of 557.48 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
PubChem CID3188343
Molecular FormulaC31H26Cl2N4O2
Molecular Weight557.48 g/mol
Exact Mass556.14
IUPAC Name1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
SMILESCCCc1nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2c(=O)n1Cc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C31H26Cl2N4O2/c1-2-5-29-36-28-17-16-24(35-31(39)34-23-14-12-22(32)13-15-23)18-26(28)30(38)37(29)19-20-8-10-21(11-9-20)25-6-3-4-7-27(25)33/h3-4,6-18H,2,5,19H2,1H3,(H2,34,35,39)
InChIKeyOJLXRMIDMACNEM-UHFFFAOYSA-N
XLogP8.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.48
LogP ≤ 58.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
CID 3188341
3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
CID 3188335
N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]-2,2-dimethylpropanamide
CID 3188297
N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide
CID 3188306
1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
CID 3201867
N-[3-[[4-(3-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]thiophene-2-carboxamide
CID 3188320
1-[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-3-phenylurea
CID 1174061
ethyl 4-[[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]amino]-4-oxobutanoate
CID 3201838
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19087824
N-[2-benzyl-3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]furan-2-carboxamide
CID 1174108
N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide
CID 3188285
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-(4-chlorophenyl)urea
CID 3205887

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea (CID 3188343) is 1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea is CCCc1nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2c(=O)n1Cc1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea?
The InChIKey is OJLXRMIDMACNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26Cl2N4O2/c1-2-5-29-36-28-17-16-24(35-31(39)34-23-14-12-22(32)13-15-23)18-26(28)30(38)37(29)19-20-8-10-21(11-9-20)25-6-3-4-7-27(25)33/h3-4,6-18H,2,5,19H2,1H3,(H2,34,35,39).
What are the key properties of 1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea?
1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea has a molecular weight of 557.48 g/mol, XLogP of 8.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea is sourced from PubChem (CID 3188343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).