4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide

C16H19ClN2O2 — CID 106166848

IUPAC4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C16H19ClN2O2/c1-3-16(2,8-9-20)19-15(21)14-10-12(17)11-6-4-5-7-13(11)18-14/h4-7,10,20H,3,8-9H2,1-2H3,(H,19,21)
InChIKeyKGCPZVNIKRFVHL-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.17
Rot. Bonds5

About 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide

4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide (PubChem CID 106166848) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide
PubChem CID106166848
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C16H19ClN2O2/c1-3-16(2,8-9-20)19-15(21)14-10-12(17)11-6-4-5-7-13(11)18-14/h4-7,10,20H,3,8-9H2,1-2H3,(H,19,21)
InChIKeyKGCPZVNIKRFVHL-UHFFFAOYSA-N
XLogP3.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
CID 65038366
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
1-chloro-N-(1-hydroxy-2-methylbutan-2-yl)isoquinoline-3-carboxamide
CID 64551993
4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
CID 63376386
N-but-2-ynyl-4-chloroquinoline-2-carboxamide
CID 113464582
2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)quinoline-4-carboxamide
CID 64551167
1-chloro-N-(1-hydroxy-3-methylpentan-3-yl)isoquinoline-4-carboxamide
CID 106834452
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide
CID 79249088
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-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470
N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide
CID 113465028

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide (CID 106166848) is 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide is CCC(C)(CCO)NC(=O)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide?
The InChIKey is KGCPZVNIKRFVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-3-16(2,8-9-20)19-15(21)14-10-12(17)11-6-4-5-7-13(11)18-14/h4-7,10,20H,3,8-9H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide?
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide has a molecular weight of 306.79 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide is sourced from PubChem (CID 106166848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).