2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide

C21H21ClN2O3 — CID 146089731

IUPAC2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide
SMILESCOCC(C)(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H21ClN2O3/c1-21(12-25,13-27-2)24-20(26)17-11-19(14-7-9-15(22)10-8-14)23-18-6-4-3-5-16(17)18/h3-11,25H,12-13H2,1-2H3,(H,24,26)
InChIKeyNWKLEETVQWXSHF-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.68
Rot. Bonds6

About 2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide

2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide (PubChem CID 146089731) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide
PubChem CID146089731
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide
SMILESCOCC(C)(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H21ClN2O3/c1-21(12-25,13-27-2)24-20(26)17-11-19(14-7-9-15(22)10-8-14)23-18-6-4-3-5-16(17)18/h3-11,25H,12-13H2,1-2H3,(H,24,26)
InChIKeyNWKLEETVQWXSHF-UHFFFAOYSA-N
XLogP3.68
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-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-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(4-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]quinoline-4-carboxamide
CID 55407847
[2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate
CID 8544012
N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5043299
2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)quinoline-4-carboxamide
CID 64551167
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 4057293
2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide
CID 24540316
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide
CID 3165622
2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 9299791

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide (CID 146089731) is 2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide is COCC(C)(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide?
The InChIKey is NWKLEETVQWXSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-21(12-25,13-27-2)24-20(26)17-11-19(14-7-9-15(22)10-8-14)23-18-6-4-3-5-16(17)18/h3-11,25H,12-13H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide has a molecular weight of 384.86 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 146089731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).