4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide

C15H17ClN2O2 — CID 79249088

IUPAC4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C15H17ClN2O2/c1-9(2)14(8-19)18-15(20)13-7-11(16)10-5-3-4-6-12(10)17-13/h3-7,9,14,19H,8H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyFABSIBLZWOBVKN-CQSZACIVSA-N
MW292.77 g/mol
LogP2.63
Rot. Bonds4

About 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide

4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide (PubChem CID 79249088) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide
PubChem CID79249088
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C15H17ClN2O2/c1-9(2)14(8-19)18-15(20)13-7-11(16)10-5-3-4-6-12(10)17-13/h3-7,9,14,19H,8H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyFABSIBLZWOBVKN-CQSZACIVSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid
CID 79009434
4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide
CID 55184889
4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
CID 63375816
2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 63376246
4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106153342
4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
CID 63376386
4-chloro-N-(1-cyanobutan-2-yl)quinoline-2-carboxamide
CID 63376390
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide
CID 123132663
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
CID 65038366
N-but-2-ynyl-4-chloroquinoline-2-carboxamide
CID 113464582
3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166666

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide (CID 79249088) is 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide is CC(C)[C@@H](CO)NC(=O)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide?
The InChIKey is FABSIBLZWOBVKN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9(2)14(8-19)18-15(20)13-7-11(16)10-5-3-4-6-12(10)17-13/h3-7,9,14,19H,8H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide?
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide is sourced from PubChem (CID 79249088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).