N-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide

C31H22N2O3 — CID 164624795

IUPACN-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ccc(-c4cc5ccccc5o4)cc3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C31H22N2O3/c1-35-24-15-16-25-26(19-27(33-28(25)18-24)20-7-3-2-4-8-20)31(34)32-23-13-11-21(12-14-23)30-17-22-9-5-6-10-29(22)36-30/h2-19H,1H3,(H,32,34)
InChIKeyQUDILTKRZLHVCE-UHFFFAOYSA-N
MW470.53 g/mol
LogP7.58
Rot. Bonds5

About N-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide

N-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide (PubChem CID 164624795) has the molecular formula C31H22N2O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide
PubChem CID164624795
Molecular FormulaC31H22N2O3
Molecular Weight470.53 g/mol
Exact Mass470.16
IUPAC NameN-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ccc(-c4cc5ccccc5o4)cc3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C31H22N2O3/c1-35-24-15-16-25-26(19-27(33-28(25)18-24)20-7-3-2-4-8-20)31(34)32-23-13-11-21(12-14-23)30-17-22-9-5-6-10-29(22)36-30/h2-19H,1H3,(H,32,34)
InChIKeyQUDILTKRZLHVCE-UHFFFAOYSA-N
XLogP7.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063
N-(4-chlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 164619676
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 175308074
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 67204744
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 3672707
N-[2,6-di(propan-2-yl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4863761
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 46578599
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide (CID 164624795) is N-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide is COc1ccc2c(C(=O)Nc3ccc(-c4cc5ccccc5o4)cc3)cc(-c3ccccc3)nc2c1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide?
The InChIKey is QUDILTKRZLHVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2O3/c1-35-24-15-16-25-26(19-27(33-28(25)18-24)20-7-3-2-4-8-20)31(34)32-23-13-11-21(12-14-23)30-17-22-9-5-6-10-29(22)36-30/h2-19H,1H3,(H,32,34).
What are the key properties of N-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide?
N-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 7.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 164624795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).