6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide

C23H25ClN4O2 — CID 18473143

IUPAC6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCN1CCN(Cc2ccc(CNC(=O)c3c[nH]c4ccc(Cl)cc4c3=O)cc2)CC1
InChIInChI=1S/C23H25ClN4O2/c1-27-8-10-28(11-9-27)15-17-4-2-16(3-5-17)13-26-23(30)20-14-25-21-7-6-18(24)12-19(21)22(20)29/h2-7,12,14H,8-11,13,15H2,1H3,(H,25,29)(H,26,30)
InChIKeyBRIKUKQOVWAFRI-UHFFFAOYSA-N
MW424.93 g/mol
LogP2.86
Rot. Bonds5

About 6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide

6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 18473143) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID18473143
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCN1CCN(Cc2ccc(CNC(=O)c3c[nH]c4ccc(Cl)cc4c3=O)cc2)CC1
InChIInChI=1S/C23H25ClN4O2/c1-27-8-10-28(11-9-27)15-17-4-2-16(3-5-17)13-26-23(30)20-14-25-21-7-6-18(24)12-19(21)22(20)29/h2-7,12,14H,8-11,13,15H2,1H3,(H,25,29)(H,26,30)
InChIKeyBRIKUKQOVWAFRI-UHFFFAOYSA-N
XLogP2.86
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473163
7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473034
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39984765
N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide
CID 18698657
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141109799
5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 120647867
7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 39042088
6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
CID 20583233
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473146
N-[3-(4-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propyl]-6-(morpholin-4-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 70202371

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide (CID 18473143) is 6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide is CN1CCN(Cc2ccc(CNC(=O)c3c[nH]c4ccc(Cl)cc4c3=O)cc2)CC1.
What is the InChIKey of 6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is BRIKUKQOVWAFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-27-8-10-28(11-9-27)15-17-4-2-16(3-5-17)13-26-23(30)20-14-25-21-7-6-18(24)12-19(21)22(20)29/h2-7,12,14H,8-11,13,15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide?
6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 18473143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).