6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide

C20H20ClN5O2 — CID 167788830

IUPAC6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN1CCN(c2cc(NC(=O)c3cc(=O)[nH]c4ccc(Cl)cc34)ccn2)CC1
InChIInChI=1S/C20H20ClN5O2/c1-25-6-8-26(9-7-25)18-11-14(4-5-22-18)23-20(28)16-12-19(27)24-17-3-2-13(21)10-15(16)17/h2-5,10-12H,6-9H2,1H3,(H,24,27)(H,22,23,28)
InChIKeyLTWYLVNYQWSCLD-UHFFFAOYSA-N
MW397.87 g/mol
LogP2.58
Rot. Bonds3

About 6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide

6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 167788830) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID167788830
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN1CCN(c2cc(NC(=O)c3cc(=O)[nH]c4ccc(Cl)cc34)ccn2)CC1
InChIInChI=1S/C20H20ClN5O2/c1-25-6-8-26(9-7-25)18-11-14(4-5-22-18)23-20(28)16-12-19(27)24-17-3-2-13(21)10-15(16)17/h2-5,10-12H,6-9H2,1H3,(H,24,27)(H,22,23,28)
InChIKeyLTWYLVNYQWSCLD-UHFFFAOYSA-N
XLogP2.58
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 166210561
N-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide
CID 167977825
5-(4-chlorophenyl)-N-(2-piperazin-1-yl-4-pyridinyl)-1H-pyrrole-2-carboxamide
CID 167878204
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168617
5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 26709129
N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116216
N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55363513
N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine
CID 58709836
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 46979864
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381872
4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenoxy]-1H-quinolin-2-one
CID 59237476

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide (CID 167788830) is 6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide is CN1CCN(c2cc(NC(=O)c3cc(=O)[nH]c4ccc(Cl)cc34)ccn2)CC1.
What is the InChIKey of 6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is LTWYLVNYQWSCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-25-6-8-26(9-7-25)18-11-14(4-5-22-18)23-20(28)16-12-19(27)24-17-3-2-13(21)10-15(16)17/h2-5,10-12H,6-9H2,1H3,(H,24,27)(H,22,23,28).
What are the key properties of 6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 397.87 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 167788830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).