N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide

C27H21N3O3 — CID 1174102

IUPACN-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3ccco3)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H21N3O3/c1-18-28-24-14-13-22(29-26(31)25-8-5-15-33-25)16-23(24)27(32)30(18)17-19-9-11-21(12-10-19)20-6-3-2-4-7-20/h2-16H,17H2,1H3,(H,29,31)
InChIKeyILFIEBDIIDPFLB-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.27
Rot. Bonds5

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

N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide (PubChem CID 1174102) has the molecular formula C27H21N3O3 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide
PubChem CID1174102
Molecular FormulaC27H21N3O3
Molecular Weight435.48 g/mol
Exact Mass435.16
IUPAC NameN-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3ccco3)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H21N3O3/c1-18-28-24-14-13-22(29-26(31)25-8-5-15-33-25)16-23(24)27(32)30(18)17-19-9-11-21(12-10-19)20-6-3-2-4-7-20/h2-16H,17H2,1H3,(H,29,31)
InChIKeyILFIEBDIIDPFLB-UHFFFAOYSA-N
XLogP5.27
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[4-(4-chlorophenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]furan-2-carboxamide
CID 3188306
N-[2-benzyl-3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]furan-2-carboxamide
CID 1174108
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
CID 1456531
N-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434216
1-[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-3-phenylurea
CID 1174061
N-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434244
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide
CID 43813136
N-[2-benzyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]-3-phenylpropanamide
CID 3188285
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
CID 1456528
N-(4-oxo-3-propan-2-ylquinazolin-6-yl)furan-2-carboxamide
CID 71700947
N-(2,3-dimethylquinoxalin-6-yl)furan-2-carboxamide
CID 3734340
N-phenazin-2-ylfuran-2-carboxamide
CID 73349396

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide (CID 1174102) is N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide is Cc1nc2ccc(NC(=O)c3ccco3)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide?
The InChIKey is ILFIEBDIIDPFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3/c1-18-28-24-14-13-22(29-26(31)25-8-5-15-33-25)16-23(24)27(32)30(18)17-19-9-11-21(12-10-19)20-6-3-2-4-7-20/h2-16H,17H2,1H3,(H,29,31).
What are the key properties of N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide?
N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide is sourced from PubChem (CID 1174102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).