N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide

C28H22N2O2 — CID 71170471

IUPACN-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide
SMILESCc1ccc(C(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2)o1
InChIInChI=1S/C28H22N2O2/c1-19-16-17-26(32-19)27(21-12-6-3-7-13-21)30-28(31)23-18-25(20-10-4-2-5-11-20)29-24-15-9-8-14-22(23)24/h2-18,27H,1H3,(H,30,31)
InChIKeyFRSJIKIEYSIMDQ-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.32
Rot. Bonds5

About N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide

N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 71170471) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide
PubChem CID71170471
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC NameN-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide
SMILESCc1ccc(C(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2)o1
InChIInChI=1S/C28H22N2O2/c1-19-16-17-26(32-19)27(21-12-6-3-7-13-21)30-28(31)23-18-25(20-10-4-2-5-11-20)29-24-15-9-8-14-22(23)24/h2-18,27H,1H3,(H,30,31)
InChIKeyFRSJIKIEYSIMDQ-UHFFFAOYSA-N
XLogP6.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1221741
methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 6604858
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
CID 10621487
N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
CID 10714925
N-[[(5-methylfuran-2-carbonyl)amino]carbamothioyl]-2-phenylquinoline-4-carboxamide
CID 87308908
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812
N-[2-(benzhydrylamino)-1-(2,4-dichlorophenyl)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 3313797
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
CID 67208958
N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 9266940
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide (CID 71170471) is N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide is Cc1ccc(C(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is FRSJIKIEYSIMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c1-19-16-17-26(32-19)27(21-12-6-3-7-13-21)30-28(31)23-18-25(20-10-4-2-5-11-20)29-24-15-9-8-14-22(23)24/h2-18,27H,1H3,(H,30,31).
What are the key properties of N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide?
N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 71170471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).