N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide

C29H24ClN3O3 — CID 3188306

IUPACN-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide
SMILESCCCc1nc2ccc(NC(=O)c3ccco3)cc2c(=O)n1Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C29H24ClN3O3/c1-2-4-27-32-25-15-14-23(31-28(34)26-5-3-16-36-26)17-24(25)29(35)33(27)18-19-6-8-20(9-7-19)21-10-12-22(30)13-11-21/h3,5-17H,2,4,18H2,1H3,(H,31,34)
InChIKeyQZZHWIWOZXECNS-UHFFFAOYSA-N
MW497.98 g/mol
LogP6.56
Rot. Bonds7

About N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide

N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide (PubChem CID 3188306) has the molecular formula C29H24ClN3O3 and a molecular weight of 497.98 g/mol. Its IUPAC name is N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide
PubChem CID3188306
Molecular FormulaC29H24ClN3O3
Molecular Weight497.98 g/mol
Exact Mass497.15
IUPAC NameN-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide
SMILESCCCc1nc2ccc(NC(=O)c3ccco3)cc2c(=O)n1Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C29H24ClN3O3/c1-2-4-27-32-25-15-14-23(31-28(34)26-5-3-16-36-26)17-24(25)29(35)33(27)18-19-6-8-20(9-7-19)21-10-12-22(30)13-11-21/h3,5-17H,2,4,18H2,1H3,(H,31,34)
InChIKeyQZZHWIWOZXECNS-UHFFFAOYSA-N
XLogP6.56
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.98
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-benzyl-3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]furan-2-carboxamide
CID 1174108
N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]-2,2-dimethylpropanamide
CID 3188297
N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide
CID 1174102
1-(4-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
CID 3188343
N-[3-[[4-(3-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]thiophene-2-carboxamide
CID 3188320
3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
CID 3188335
1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
CID 3201867
1-(2-chlorophenyl)-3-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
CID 3188341
ethyl 4-[[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]amino]-4-oxobutanoate
CID 3201838
N-[2-benzyl-3-[(3-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-4-chlorobenzamide
CID 3188187
N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide
CID 3188285
3-[[4-(3-chlorophenyl)phenyl]methyl]-6-nitro-2-propylquinazolin-4-one
CID 3188248

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide (CID 3188306) is N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide is CCCc1nc2ccc(NC(=O)c3ccco3)cc2c(=O)n1Cc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide?
The InChIKey is QZZHWIWOZXECNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN3O3/c1-2-4-27-32-25-15-14-23(31-28(34)26-5-3-16-36-26)17-24(25)29(35)33(27)18-19-6-8-20(9-7-19)21-10-12-22(30)13-11-21/h3,5-17H,2,4,18H2,1H3,(H,31,34).
What are the key properties of N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide?
N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide has a molecular weight of 497.98 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide is sourced from PubChem (CID 3188306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).