2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide

C22H21ClN2O2 — CID 7920218

IUPAC2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)NC[C@@H]3CCCO3)c2c1
InChIInChI=1S/C22H21ClN2O2/c1-14-4-9-20-18(11-14)19(22(26)24-13-17-3-2-10-27-17)12-21(25-20)15-5-7-16(23)8-6-15/h4-9,11-12,17H,2-3,10,13H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyJTZJNLDEMYXZEK-KRWDZBQOSA-N
MW380.88 g/mol
LogP4.77
Rot. Bonds4

About 2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide

2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide (PubChem CID 7920218) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
PubChem CID7920218
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)NC[C@@H]3CCCO3)c2c1
InChIInChI=1S/C22H21ClN2O2/c1-14-4-9-20-18(11-14)19(22(26)24-13-17-3-2-10-27-17)12-21(25-20)15-5-7-16(23)8-6-15/h4-9,11-12,17H,2-3,10,13H2,1H3,(H,24,26)/t17-/m0/s1
InChIKeyJTZJNLDEMYXZEK-KRWDZBQOSA-N
XLogP4.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 40719728
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2886977
2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1294028
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573
5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 42107591
6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46291470
7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide
CID 31883572
2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1028519
2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2862861
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19510216
2-methyl-8-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46334731

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide (CID 7920218) is 2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide is Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)NC[C@@H]3CCCO3)c2c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The InChIKey is JTZJNLDEMYXZEK-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-14-4-9-20-18(11-14)19(22(26)24-13-17-3-2-10-27-17)12-21(25-20)15-5-7-16(23)8-6-15/h4-9,11-12,17H,2-3,10,13H2,1H3,(H,24,26)/t17-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 7920218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).