N-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide

C22H17ClN2O2 — CID 71891239

IUPACN-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Cl)o1
InChIInChI=1S/C22H17ClN2O2/c1-14(26)24-13-16-11-12-19(27-16)22-21(23)20(15-7-3-2-4-8-15)17-9-5-6-10-18(17)25-22/h2-12H,13H2,1H3,(H,24,26)
InChIKeyKQAAUKPXCRAGDD-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.45
Rot. Bonds4

About N-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide

N-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide (PubChem CID 71891239) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide
PubChem CID71891239
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC NameN-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Cl)o1
InChIInChI=1S/C22H17ClN2O2/c1-14(26)24-13-16-11-12-19(27-16)22-21(23)20(15-7-3-2-4-8-15)17-9-5-6-10-18(17)25-22/h2-12H,13H2,1H3,(H,24,26)
InChIKeyKQAAUKPXCRAGDD-UHFFFAOYSA-N
XLogP5.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide
CID 868700
2-(furan-2-yl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 903397
1-(4-(2-(5-Methylfuran-2-yl)quinoline-4-carbonyl)piperazin-1-yl)ethan-1-one
CID 24980435
6-fluoro-N-(2-furylmethyl)-2-methyl-4-quinolinecarboxamide
CID 826914
2-(3,4-dimethoxyphenyl)-N-(2-furylmethyl)-4-quinolinecarboxamide
CID 1009671
N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide
CID 2430333
N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 3372555
N-cyclohexyl-7-methylfuro[2,3-b]quinoline-2-carboxamide
CID 3617885
[2-(Furan-2-yl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 4447963
N-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide
CID 15993344
2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 24683819
1,2-Ethanediamine, N'-(2-(2-furanyl)-4-quinolinyl)-N,N-dimethyl-
CID 453072

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide (CID 71891239) is N-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Cl)o1.
What is the InChIKey of N-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide?
The InChIKey is KQAAUKPXCRAGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c1-14(26)24-13-16-11-12-19(27-16)22-21(23)20(15-7-3-2-4-8-15)17-9-5-6-10-18(17)25-22/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of N-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide?
N-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide has a molecular weight of 376.84 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-phenylquinolin-2-yl)furan-2-yl]methyl]acetamide is sourced from PubChem (CID 71891239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).