6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide

C16H17ClN2O2 — CID 119072201

IUPAC6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCOC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H17ClN2O2/c1-10-6-14(13-7-12(17)2-3-15(13)19-10)16(20)18-8-11-4-5-21-9-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,18,20)
InChIKeyUAMJXSSHNRTAQX-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.96
Rot. Bonds3

About 6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide

6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide (PubChem CID 119072201) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide
PubChem CID119072201
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCOC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H17ClN2O2/c1-10-6-14(13-7-12(17)2-3-15(13)19-10)16(20)18-8-11-4-5-21-9-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,18,20)
InChIKeyUAMJXSSHNRTAQX-UHFFFAOYSA-N
XLogP2.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6-chloro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 162635361
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 94020756
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450
4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide
CID 62328293
6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46291470
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
2,4-dimethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65398563
5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 114923351
6-methyl-2-oxo-N-(oxolan-3-ylmethyl)-1H-quinoline-4-carboxamide
CID 121499260
2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide
CID 62160787
6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 40719728

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide (CID 119072201) is 6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide is Cc1cc(C(=O)NCC2CCOC2)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide?
The InChIKey is UAMJXSSHNRTAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-6-14(13-7-12(17)2-3-15(13)19-10)16(20)18-8-11-4-5-21-9-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,18,20).
What are the key properties of 6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide?
6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 119072201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).