N-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide

C23H26N4O3 — CID 24742632

IUPACN-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(=O)c3c(C)ccc(N4CCN(C)CC4)c3[nH]2)cc1
InChIInChI=1S/C23H26N4O3/c1-15-4-9-19(27-12-10-26(2)11-13-27)22-21(15)20(28)14-18(25-22)23(29)24-16-5-7-17(30-3)8-6-16/h4-9,14H,10-13H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyQYNLMPMHQRCTLP-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.85
Rot. Bonds4

About N-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide

N-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 24742632) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide
PubChem CID24742632
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(=O)c3c(C)ccc(N4CCN(C)CC4)c3[nH]2)cc1
InChIInChI=1S/C23H26N4O3/c1-15-4-9-19(27-12-10-26(2)11-13-27)22-21(15)20(28)14-18(25-22)23(29)24-16-5-7-17(30-3)8-6-16/h4-9,14H,10-13H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyQYNLMPMHQRCTLP-UHFFFAOYSA-N
XLogP2.85
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-8-(4-methylpiperazin-1-yl)-4-oxo-N-[4-(4-propanoylpiperazin-1-yl)phenyl]-1H-quinoline-2-carboxamide
CID 23533313
5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid
CID 69404733
2-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 24535273
methyl 3-[(4-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6456963
1-(4-methoxy-2-methylphenyl)-4-methylpiperazine
CID 21363831
1-(4-methoxyphenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55566446
N-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetamide
CID 83021572
7-amino-N-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 62057891
N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109009137
4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 22414591
4-fluoro-N-[3-[(4-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]benzamide
CID 46326630
4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide
CID 110295472

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide (CID 24742632) is N-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide is COc1ccc(NC(=O)c2cc(=O)c3c(C)ccc(N4CCN(C)CC4)c3[nH]2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is QYNLMPMHQRCTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-4-9-19(27-12-10-26(2)11-13-27)22-21(15)20(28)14-18(25-22)23(29)24-16-5-7-17(30-3)8-6-16/h4-9,14H,10-13H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of N-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide?
N-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 24742632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).