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

C16H17BrN2O2 — CID 46291470

IUPAC6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)c2cc(Br)ccc2n1
InChIInChI=1S/C16H17BrN2O2/c1-10-7-14(13-8-11(17)4-5-15(13)19-10)16(20)18-9-12-3-2-6-21-12/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,18,20)
InChIKeyAPDJWHJZJKUVLP-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.21
Rot. Bonds3

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

6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 46291470) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
PubChem CID46291470
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)c2cc(Br)ccc2n1
InChIInChI=1S/C16H17BrN2O2/c1-10-7-14(13-8-11(17)4-5-15(13)19-10)16(20)18-9-12-3-2-6-21-12/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,18,20)
InChIKeyAPDJWHJZJKUVLP-UHFFFAOYSA-N
XLogP3.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 7920218
2-methyl-8-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46334731
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007734
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2886977
6-chloro-2-(5-ethylthiophen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 40719728
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 46642626
N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453104

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide (CID 46291470) is 6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide is Cc1cc(C(=O)NCC2CCCO2)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is APDJWHJZJKUVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10-7-14(13-8-11(17)4-5-15(13)19-10)16(20)18-9-12-3-2-6-21-12/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,18,20).
What are the key properties of 6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 46291470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).