N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide

C37H31N3O2 — CID 3188285

IUPACN-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2nc(Cc3ccccc3)n(Cc3ccc(-c4ccccc4)cc3)c(=O)c2c1
InChIInChI=1S/C37H31N3O2/c41-36(23-18-27-10-4-1-5-11-27)38-32-21-22-34-33(25-32)37(42)40(35(39-34)24-28-12-6-2-7-13-28)26-29-16-19-31(20-17-29)30-14-8-3-9-15-30/h1-17,19-22,25H,18,23-24,26H2,(H,38,41)
InChIKeyOUYLRPXBPYPQIO-UHFFFAOYSA-N
MW549.67 g/mol
LogP7.27
Rot. Bonds9

About N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide

N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide (PubChem CID 3188285) has the molecular formula C37H31N3O2 and a molecular weight of 549.67 g/mol. Its IUPAC name is N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide
PubChem CID3188285
Molecular FormulaC37H31N3O2
Molecular Weight549.67 g/mol
Exact Mass549.24
IUPAC NameN-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2nc(Cc3ccccc3)n(Cc3ccc(-c4ccccc4)cc3)c(=O)c2c1
InChIInChI=1S/C37H31N3O2/c41-36(23-18-27-10-4-1-5-11-27)38-32-21-22-34-33(25-32)37(42)40(35(39-34)24-28-12-6-2-7-13-28)26-29-16-19-31(20-17-29)30-14-8-3-9-15-30/h1-17,19-22,25H,18,23-24,26H2,(H,38,41)
InChIKeyOUYLRPXBPYPQIO-UHFFFAOYSA-N
XLogP7.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.67
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-benzyl-3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]furan-2-carboxamide
CID 1174108
N-[2-benzyl-3-[(3-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-4-chlorobenzamide
CID 3188187
ethyl 4-[[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]amino]-4-oxobutanoate
CID 3201838
N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide
CID 1174102
N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide
CID 3188306
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
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
1-(3-chlorophenyl)-3-[3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]urea
CID 3201867
3-chloro-N-[3-[[4-(2-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]benzamide
CID 3188335
N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide
CID 1456550

Frequently Asked Questions

What is the IUPAC name of N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide (CID 3188285) is N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc2nc(Cc3ccccc3)n(Cc3ccc(-c4ccccc4)cc3)c(=O)c2c1.
What is the InChIKey of N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide?
The InChIKey is OUYLRPXBPYPQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N3O2/c41-36(23-18-27-10-4-1-5-11-27)38-32-21-22-34-33(25-32)37(42)40(35(39-34)24-28-12-6-2-7-13-28)26-29-16-19-31(20-17-29)30-14-8-3-9-15-30/h1-17,19-22,25H,18,23-24,26H2,(H,38,41).
What are the key properties of N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide?
N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide has a molecular weight of 549.67 g/mol, XLogP of 7.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide is sourced from PubChem (CID 3188285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).