4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide

C12H11ClN2O2 — CID 44590767

IUPAC4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide
SMILESO=C(NCCO)c1cnc2ccccc2c1Cl
InChIInChI=1S/C12H11ClN2O2/c13-11-8-3-1-2-4-10(8)15-7-9(11)12(17)14-5-6-16/h1-4,7,16H,5-6H2,(H,14,17)
InChIKeyKGKZLBHSJOIXRI-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.61
Rot. Bonds3

About 4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide

4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide (PubChem CID 44590767) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide
PubChem CID44590767
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide
SMILESO=C(NCCO)c1cnc2ccccc2c1Cl
InChIInChI=1S/C12H11ClN2O2/c13-11-8-3-1-2-4-10(8)15-7-9(11)12(17)14-5-6-16/h1-4,7,16H,5-6H2,(H,14,17)
InChIKeyKGKZLBHSJOIXRI-UHFFFAOYSA-N
XLogP1.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(2-hydroxyethyl)quinoline-3-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

4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide
CID 44590733
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide
CID 44590732
4-chloro-N-methoxy-N-methylquinoline-3-carboxamide
CID 86709600
N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107318423
4-chloro-N-[2-(diethylamino)ethyl]-6-iodoquinoline-3-carboxamide
CID 66942500
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
N-(2-acetamidoethyl)-1-chloroisoquinoline-4-carboxamide
CID 106765961
2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide
CID 133316214
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
1-chloro-N-(4,4,4-trifluorobutyl)isoquinoline-4-carboxamide
CID 106766302
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
N-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide
CID 78889390

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide (CID 44590767) is 4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide is O=C(NCCO)c1cnc2ccccc2c1Cl.
What is the InChIKey of 4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide?
The InChIKey is KGKZLBHSJOIXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-11-8-3-1-2-4-10(8)15-7-9(11)12(17)14-5-6-16/h1-4,7,16H,5-6H2,(H,14,17).
What are the key properties of 4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide?
4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide is sourced from PubChem (CID 44590767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).