2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide

C16H19ClN2O2 — CID 106180063

IUPAC2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H19ClN2O2/c1-15(2,16(3,4)21)19-14(20)11-9-13(17)18-12-8-6-5-7-10(11)12/h5-9,21H,1-4H3,(H,19,20)
InChIKeyNJEQAVJTUMTHLY-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.17
Rot. Bonds3

About 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide

2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide (PubChem CID 106180063) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide
PubChem CID106180063
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H19ClN2O2/c1-15(2,16(3,4)21)19-14(20)11-9-13(17)18-12-8-6-5-7-10(11)12/h5-9,21H,1-4H3,(H,19,20)
InChIKeyNJEQAVJTUMTHLY-UHFFFAOYSA-N
XLogP3.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)quinoline-4-carboxamide
CID 64551167
2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)quinoline-4-carboxamide
CID 103825258
2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 43082670
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide
CID 79099972
N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5043299
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide
CID 60655129
2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 9011295
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 64672068

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide (CID 106180063) is 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide is CC(C)(O)C(C)(C)NC(=O)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide?
The InChIKey is NJEQAVJTUMTHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-15(2,16(3,4)21)19-14(20)11-9-13(17)18-12-8-6-5-7-10(11)12/h5-9,21H,1-4H3,(H,19,20).
What are the key properties of 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide?
2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide has a molecular weight of 306.79 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 106180063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).