6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid

C28H26N4O4 — CID 50783996

IUPAC6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
SMILESCOc1cccc(N2CCN(c3cc(C(=O)O)c4cc(NC(=O)c5ccccc5)ccc4n3)CC2)c1
InChIInChI=1S/C28H26N4O4/c1-36-22-9-5-8-21(17-22)31-12-14-32(15-13-31)26-18-24(28(34)35)23-16-20(10-11-25(23)30-26)29-27(33)19-6-3-2-4-7-19/h2-11,16-18H,12-15H2,1H3,(H,29,33)(H,34,35)
InChIKeyXXJSHGBAJYBQRZ-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.52
Rot. Bonds6

About 6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid

6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid (PubChem CID 50783996) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
PubChem CID50783996
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
SMILESCOc1cccc(N2CCN(c3cc(C(=O)O)c4cc(NC(=O)c5ccccc5)ccc4n3)CC2)c1
InChIInChI=1S/C28H26N4O4/c1-36-22-9-5-8-21(17-22)31-12-14-32(15-13-31)26-18-24(28(34)35)23-16-20(10-11-25(23)30-26)29-27(33)19-6-3-2-4-7-19/h2-11,16-18H,12-15H2,1H3,(H,29,33)(H,34,35)
InChIKeyXXJSHGBAJYBQRZ-UHFFFAOYSA-N
XLogP4.52
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-methoxybenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50784035
6-[(4-methylbenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 46326933
6-[(4-fluorobenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784025
6-[(2-methylbenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid;trihydrochloride
CID 146058146
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-[(2-methoxyacetyl)amino]quinoline-4-carboxylic acid
CID 50784207
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2-methylpropanoylamino)quinoline-4-carboxylic acid;trihydrochloride
CID 146058155
2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutanoylamino)quinoline-4-carboxylic acid;trihydrochloride
CID 146058200
6-[(3-chlorobenzoyl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinoline-4-carboxylic acid
CID 50783032
6-[(3-chlorobenzoyl)amino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50784144
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
6-[(4-methylbenzoyl)amino]-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)quinoline-4-carboxylic acid
CID 46326914
4-methoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 15987844

Frequently Asked Questions

What is the IUPAC name of 6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid?
The IUPAC name of 6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid (CID 50783996) is 6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid is COc1cccc(N2CCN(c3cc(C(=O)O)c4cc(NC(=O)c5ccccc5)ccc4n3)CC2)c1.
What is the InChIKey of 6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid?
The InChIKey is XXJSHGBAJYBQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-36-22-9-5-8-21(17-22)31-12-14-32(15-13-31)26-18-24(28(34)35)23-16-20(10-11-25(23)30-26)29-27(33)19-6-3-2-4-7-19/h2-11,16-18H,12-15H2,1H3,(H,29,33)(H,34,35).
What are the key properties of 6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid?
6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid has a molecular weight of 482.54 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid is sourced from PubChem (CID 50783996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).