1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride

C25H32ClN3O4 — CID 25142636

IUPAC1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride
SMILESCCCCN1C(=O)CC(N2CCN(c3ccccc3OC)CC2)c2ccc(C(=O)O)cc21.Cl
InChIInChI=1S/C25H31N3O4.ClH/c1-3-4-11-28-22-16-18(25(30)31)9-10-19(22)21(17-24(28)29)27-14-12-26(13-15-27)20-7-5-6-8-23(20)32-2;/h5-10,16,21H,3-4,11-15,17H2,1-2H3,(H,30,31);1H
InChIKeyBHWVUHRKMKGKNJ-UHFFFAOYSA-N
MW474.00 g/mol
LogP4.22
Rot. Bonds7

About 1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride

1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride (PubChem CID 25142636) has the molecular formula C25H32ClN3O4 and a molecular weight of 474.00 g/mol. Its IUPAC name is 1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride
PubChem CID25142636
Molecular FormulaC25H32ClN3O4
Molecular Weight474.00 g/mol
Exact Mass473.21
IUPAC Name1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride
SMILESCCCCN1C(=O)CC(N2CCN(c3ccccc3OC)CC2)c2ccc(C(=O)O)cc21.Cl
InChIInChI=1S/C25H31N3O4.ClH/c1-3-4-11-28-22-16-18(25(30)31)9-10-19(22)21(17-24(28)29)27-14-12-26(13-15-27)20-7-5-6-8-23(20)32-2;/h5-10,16,21H,3-4,11-15,17H2,1-2H3,(H,30,31);1H
InChIKeyBHWVUHRKMKGKNJ-UHFFFAOYSA-N
XLogP4.22
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.00
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride with MolForge

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Related Compounds

1-butyl-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-2-oxo-3H-quinoxaline-6-carboxylic acid
CID 134084866
(3S)-1-(2-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1087567
(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 2126419
4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2456144
(3R)-1-(2,4-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2107844
(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1213323
3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride
CID 25142637
1-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 16583901
(4-butyl-3-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-7-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 22587532
5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
CID 10597866
1-butyl-2-oxo-4-[2-(4-phenylpiperazin-1-yl)acetyl]-3H-quinoxaline-6-carboxylic acid
CID 134084748
(3S)-1-(3,5-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1369612

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride?
The IUPAC name of 1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride (CID 25142636) is 1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride?
The canonical SMILES for 1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride is CCCCN1C(=O)CC(N2CCN(c3ccccc3OC)CC2)c2ccc(C(=O)O)cc21.Cl.
What is the InChIKey of 1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride?
The InChIKey is BHWVUHRKMKGKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4.ClH/c1-3-4-11-28-22-16-18(25(30)31)9-10-19(22)21(17-24(28)29)27-14-12-26(13-15-27)20-7-5-6-8-23(20)32-2;/h5-10,16,21H,3-4,11-15,17H2,1-2H3,(H,30,31);1H.
What are the key properties of 1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride?
1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride has a molecular weight of 474.00 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 25142636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).