1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide

C26H32N4O2 — CID 55762459

IUPAC1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide
SMILESCc1cccc(N2CCN(CCC(C)NC(=O)c3cc(=O)n(C)c4ccccc34)CC2)c1
InChIInChI=1S/C26H32N4O2/c1-19-7-6-8-21(17-19)30-15-13-29(14-16-30)12-11-20(2)27-26(32)23-18-25(31)28(3)24-10-5-4-9-22(23)24/h4-10,17-18,20H,11-16H2,1-3H3,(H,27,32)
InChIKeyHWBWBPHHCMESNW-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.18
Rot. Bonds6

About 1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide

1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide (PubChem CID 55762459) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide
PubChem CID55762459
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide
SMILESCc1cccc(N2CCN(CCC(C)NC(=O)c3cc(=O)n(C)c4ccccc34)CC2)c1
InChIInChI=1S/C26H32N4O2/c1-19-7-6-8-21(17-19)30-15-13-29(14-16-30)12-11-20(2)27-26(32)23-18-25(31)28(3)24-10-5-4-9-22(23)24/h4-10,17-18,20H,11-16H2,1-3H3,(H,27,32)
InChIKeyHWBWBPHHCMESNW-UHFFFAOYSA-N
XLogP3.18
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55662661
3-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-nitrobenzamide
CID 55662809
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]thiophene-2-carboxamide
CID 55662630
trans-(1S,2S)-2-methyl-N-[(2S)-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]cyclopropane-1-carboxamide
CID 36635694
3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide
CID 55662778
5-(methoxymethyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]furan-2-carboxamide
CID 78868715
3-methyl-N-[(2S)-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 51956469
2-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55969249
1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide
CID 92625902
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide
CID 60501653
4-(2-methoxyethoxy)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]piperidine-1-carboxamide
CID 86964366
2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide
CID 55652300

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide (CID 55762459) is 1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide is Cc1cccc(N2CCN(CCC(C)NC(=O)c3cc(=O)n(C)c4ccccc34)CC2)c1.
What is the InChIKey of 1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide?
The InChIKey is HWBWBPHHCMESNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-19-7-6-8-21(17-19)30-15-13-29(14-16-30)12-11-20(2)27-26(32)23-18-25(31)28(3)24-10-5-4-9-22(23)24/h4-10,17-18,20H,11-16H2,1-3H3,(H,27,32).
What are the key properties of 1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide?
1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55762459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).