4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide

C15H17ClN4O — CID 83017398

IUPAC4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
SMILESCN1CCN(NC(=O)c2cc(Cl)c3ccccc3n2)CC1
InChIInChI=1S/C15H17ClN4O/c1-19-6-8-20(9-7-19)18-15(21)14-10-12(16)11-4-2-3-5-13(11)17-14/h2-5,10H,6-9H2,1H3,(H,18,21)
InChIKeyHNTMCZQPOUPIDP-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.78
Rot. Bonds2

About 4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide

4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide (PubChem CID 83017398) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
PubChem CID83017398
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
SMILESCN1CCN(NC(=O)c2cc(Cl)c3ccccc3n2)CC1
InChIInChI=1S/C15H17ClN4O/c1-19-6-8-20(9-7-19)18-15(21)14-10-12(16)11-4-2-3-5-13(11)17-14/h2-5,10H,6-9H2,1H3,(H,18,21)
InChIKeyHNTMCZQPOUPIDP-UHFFFAOYSA-N
XLogP1.78
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 4998339
(2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid
CID 79009434
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
4-chloro-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
CID 139188850
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
CID 65038366
(4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone
CID 167993187
N-but-2-ynyl-4-chloroquinoline-2-carboxamide
CID 113464582
(4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 63376375
1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81165272
4-chloro-N-(3-methylcyclopentyl)quinoline-2-carboxamide
CID 114545564
2-[(4-chloroquinoline-2-carbonyl)amino]oxyacetic acid
CID 63914484

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide (CID 83017398) is 4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide is CN1CCN(NC(=O)c2cc(Cl)c3ccccc3n2)CC1.
What is the InChIKey of 4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide?
The InChIKey is HNTMCZQPOUPIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-19-6-8-20(9-7-19)18-15(21)14-10-12(16)11-4-2-3-5-13(11)17-14/h2-5,10H,6-9H2,1H3,(H,18,21).
What are the key properties of 4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide?
4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide is sourced from PubChem (CID 83017398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).