2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide

C28H21ClN2O2 — CID 18871547

IUPAC2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(-c3ccccc3Cl)o2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C28H21ClN2O2/c1-18(19-9-3-2-4-10-19)30-28(32)22-17-25(31-24-14-8-6-11-20(22)24)27-16-15-26(33-27)21-12-5-7-13-23(21)29/h2-18H,1H3,(H,30,32)
InChIKeyORCHFEJTYBXJOF-UHFFFAOYSA-N
MW452.94 g/mol
LogP7.31
Rot. Bonds5

About 2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide

2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide (PubChem CID 18871547) has the molecular formula C28H21ClN2O2 and a molecular weight of 452.94 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
PubChem CID18871547
Molecular FormulaC28H21ClN2O2
Molecular Weight452.94 g/mol
Exact Mass452.13
IUPAC Name2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(-c3ccccc3Cl)o2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C28H21ClN2O2/c1-18(19-9-3-2-4-10-19)30-28(32)22-17-25(31-24-14-8-6-11-20(22)24)27-16-15-26(33-27)21-12-5-7-13-23(21)29/h2-18H,1H3,(H,30,32)
InChIKeyORCHFEJTYBXJOF-UHFFFAOYSA-N
XLogP7.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 57.31
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
2-[5-(2-chlorophenyl)furan-2-yl]-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 18871528
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
2-[5-(2-chlorophenyl)furan-2-yl]-N-naphthalen-2-ylquinoline-4-carboxamide
CID 18871513
5-(2-chlorophenyl)-N-(1-phenylethyl)furan-2-carboxamide
CID 5262420
5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 159321115
2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide
CID 16574165
N-(3-chlorophenyl)-2-[5-(2,5-dichlorophenyl)furan-2-yl]quinoline-4-carboxamide
CID 3320353
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 2483564
N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 9266940

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide (CID 18871547) is 2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide is CC(NC(=O)c1cc(-c2ccc(-c3ccccc3Cl)o2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide?
The InChIKey is ORCHFEJTYBXJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O2/c1-18(19-9-3-2-4-10-19)30-28(32)22-17-25(31-24-14-8-6-11-20(22)24)27-16-15-26(33-27)21-12-5-7-13-23(21)29/h2-18H,1H3,(H,30,32).
What are the key properties of 2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide?
2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide has a molecular weight of 452.94 g/mol, XLogP of 7.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 18871547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).