6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide

C18H23ClN4O — CID 95317979

IUPAC6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide
SMILESC[C@H](CNC(=O)c1cc(Cl)cc2cccnc12)N1CCN(C)CC1
InChIInChI=1S/C18H23ClN4O/c1-13(23-8-6-22(2)7-9-23)12-21-18(24)16-11-15(19)10-14-4-3-5-20-17(14)16/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,21,24)/t13-/m1/s1
InChIKeyXWXZNYNDKHYPCI-CYBMUJFWSA-N
MW346.86 g/mol
LogP2.25
Rot. Bonds4

About 6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide

6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide (PubChem CID 95317979) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide
PubChem CID95317979
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide
SMILESC[C@H](CNC(=O)c1cc(Cl)cc2cccnc12)N1CCN(C)CC1
InChIInChI=1S/C18H23ClN4O/c1-13(23-8-6-22(2)7-9-23)12-21-18(24)16-11-15(19)10-14-4-3-5-20-17(14)16/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,21,24)/t13-/m1/s1
InChIKeyXWXZNYNDKHYPCI-CYBMUJFWSA-N
XLogP2.25
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-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-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126
(6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877406
(6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone
CID 97094000
N-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide
CID 155945939
6-chloro-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline-8-carboxamide
CID 56781980
5-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031099
6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide
CID 110022221
6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide
CID 120890313
6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide
CID 87025093
3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide
CID 95284101
6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide
CID 55881590
1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide
CID 97020056

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide?
The IUPAC name of 6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide (CID 95317979) is 6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide?
The canonical SMILES for 6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide is C[C@H](CNC(=O)c1cc(Cl)cc2cccnc12)N1CCN(C)CC1.
What is the InChIKey of 6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide?
The InChIKey is XWXZNYNDKHYPCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-13(23-8-6-22(2)7-9-23)12-21-18(24)16-11-15(19)10-14-4-3-5-20-17(14)16/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,21,24)/t13-/m1/s1.
What are the key properties of 6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide?
6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide is sourced from PubChem (CID 95317979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).