4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide

C15H17ClN2O3 — CID 106153342

IUPAC4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide
SMILESCOCC(CCO)NC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C15H17ClN2O3/c1-21-9-10(6-7-19)17-15(20)14-8-12(16)11-4-2-3-5-13(11)18-14/h2-5,8,10,19H,6-7,9H2,1H3,(H,17,20)
InChIKeyKXPXLMMNWLIWEB-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.02
Rot. Bonds6

About 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide

4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide (PubChem CID 106153342) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide
PubChem CID106153342
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide
SMILESCOCC(CCO)NC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C15H17ClN2O3/c1-21-9-10(6-7-19)17-15(20)14-8-12(16)11-4-2-3-5-13(11)18-14/h2-5,8,10,19H,6-7,9H2,1H3,(H,17,20)
InChIKeyKXPXLMMNWLIWEB-UHFFFAOYSA-N
XLogP2.02
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Chloroethyl)-2-quinolinecarboxamide
CID 2305179
2-Chloro-N-cyclopropyl-4-quinolinecarboxamide
CID 7131550
5-Chloro-N-[1-(2-hydroxyethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-1H-indole-2-carboxamide
CID 10287292
(2S)-4-methyl-N-(4-oxooxolan-3-yl)-2-(quinolin-2-ylformamido)pentanamide
CID 10499322
N-[2-(4-chlorophenyl)ethyl]quinoline-2-carboxamide
CID 2089407
N-[(4-chlorophenyl)methyl]quinoline-2-carboxamide
CID 2094700
N-[(2-chlorophenyl)methyl]quinoline-2-carboxamide
CID 2097108
Methyl N-(quinoline-2-carbonyl)-L-phenylalaninate
CID 9439964
9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 20873719
2-chloro-N-(4-methylcyclohexyl)quinoline-4-carboxamide
CID 39902825
[(1R)-1-[[(2S,3R)-3-hydroxy-2-(quinoline-2-carbonylamino)butanoyl]amino]-3-methylbutyl]boronic acid
CID 11710784
2-Quinolinecarboxamide, N-(2-(diethylamino)ethyl)-
CID 208568

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide (CID 106153342) is 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide is COCC(CCO)NC(=O)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide?
The InChIKey is KXPXLMMNWLIWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-21-9-10(6-7-19)17-15(20)14-8-12(16)11-4-2-3-5-13(11)18-14/h2-5,8,10,19H,6-7,9H2,1H3,(H,17,20).
What are the key properties of 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide?
4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide has a molecular weight of 308.76 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 106153342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).