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

C32H29ClN4O3 — CID 3201867

IUPAC1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
SMILESCCCc1nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2c(=O)n1Cc1ccc(-c2cccc(OC)c2)cc1
InChIInChI=1S/C32H29ClN4O3/c1-3-6-30-36-29-16-15-26(35-32(39)34-25-9-5-8-24(33)18-25)19-28(29)31(38)37(30)20-21-11-13-22(14-12-21)23-7-4-10-27(17-23)40-2/h4-5,7-19H,3,6,20H2,1-2H3,(H2,34,35,39)
InChIKeyIJIDVRXTSNLEBX-UHFFFAOYSA-N
MW553.06 g/mol
LogP7.37
Rot. Bonds8

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

1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea (PubChem CID 3201867) has the molecular formula C32H29ClN4O3 and a molecular weight of 553.06 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
PubChem CID3201867
Molecular FormulaC32H29ClN4O3
Molecular Weight553.06 g/mol
Exact Mass552.19
IUPAC Name1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
SMILESCCCc1nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2c(=O)n1Cc1ccc(-c2cccc(OC)c2)cc1
InChIInChI=1S/C32H29ClN4O3/c1-3-6-30-36-29-16-15-26(35-32(39)34-25-9-5-8-24(33)18-25)19-28(29)31(38)37(30)20-21-11-13-22(14-12-21)23-7-4-10-27(17-23)40-2/h4-5,7-19H,3,6,20H2,1-2H3,(H2,34,35,39)
InChIKeyIJIDVRXTSNLEBX-UHFFFAOYSA-N
XLogP7.37
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.06
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[3-[[4-(3-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]thiophene-2-carboxamide
CID 3188320
1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
CID 3188343
ethyl 4-[[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]amino]-4-oxobutanoate
CID 3201838
N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]-2,2-dimethylpropanamide
CID 3188297
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
3-[[4-(3-chlorophenyl)phenyl]methyl]-6-nitro-2-propylquinazolin-4-one
CID 3188248
N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide
CID 3188306
1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3212343
1-[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-3-phenylurea
CID 1174061
N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide
CID 3188285
N-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434216

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea (CID 3201867) is 1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea is CCCc1nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2c(=O)n1Cc1ccc(-c2cccc(OC)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea?
The InChIKey is IJIDVRXTSNLEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClN4O3/c1-3-6-30-36-29-16-15-26(35-32(39)34-25-9-5-8-24(33)18-25)19-28(29)31(38)37(30)20-21-11-13-22(14-12-21)23-7-4-10-27(17-23)40-2/h4-5,7-19H,3,6,20H2,1-2H3,(H2,34,35,39).
What are the key properties of 1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea?
1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea has a molecular weight of 553.06 g/mol, XLogP of 7.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea is sourced from PubChem (CID 3201867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).