2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide

C21H19ClN2O2 — CID 1294028

IUPAC2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C21H19ClN2O2/c22-18-9-3-1-8-16(18)20-12-17(15-7-2-4-10-19(15)24-20)21(25)23-13-14-6-5-11-26-14/h1-4,7-10,12,14H,5-6,11,13H2,(H,23,25)/t14-/m0/s1
InChIKeyHMENWMHPGFJRQE-AWEZNQCLSA-N
MW366.85 g/mol
LogP4.46
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide

2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide (PubChem CID 1294028) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
PubChem CID1294028
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C21H19ClN2O2/c22-18-9-3-1-8-16(18)20-12-17(15-7-2-4-10-19(15)24-20)21(25)23-13-14-6-5-11-26-14/h1-4,7-10,12,14H,5-6,11,13H2,(H,23,25)/t14-/m0/s1
InChIKeyHMENWMHPGFJRQE-AWEZNQCLSA-N
XLogP4.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573
2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2862861
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2886977
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1028519
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2023347
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23767440
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 7920218
2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 5074065

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide (CID 1294028) is 2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide is O=C(NC[C@@H]1CCCO1)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The InChIKey is HMENWMHPGFJRQE-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-18-9-3-1-8-16(18)20-12-17(15-7-2-4-10-19(15)24-20)21(25)23-13-14-6-5-11-26-14/h1-4,7-10,12,14H,5-6,11,13H2,(H,23,25)/t14-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 1294028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).