N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide

C25H36N4O3 — CID 86902954

IUPACN-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide
SMILESO=C(NCCC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1)C1CCCCC1
InChIInChI=1S/C25H36N4O3/c30-23(12-13-26-25(32)21-8-2-1-3-9-21)28-17-15-27(16-18-28)19-24(31)29-14-6-10-20-7-4-5-11-22(20)29/h4-5,7,11,21H,1-3,6,8-10,12-19H2,(H,26,32)
InChIKeyXHRXOKAQNMIPDC-UHFFFAOYSA-N
MW440.59 g/mol
LogP2.20
Rot. Bonds6

About N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide

N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide (PubChem CID 86902954) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide
PubChem CID86902954
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC NameN-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide
SMILESO=C(NCCC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1)C1CCCCC1
InChIInChI=1S/C25H36N4O3/c30-23(12-13-26-25(32)21-8-2-1-3-9-21)28-17-15-27(16-18-28)19-24(31)29-14-6-10-20-7-4-5-11-22(20)29/h4-5,7,11,21H,1-3,6,8-10,12-19H2,(H,26,32)
InChIKeyXHRXOKAQNMIPDC-UHFFFAOYSA-N
XLogP2.20
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 86903006
4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 119883298
N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165433473
4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]pentan-1-one
CID 120565523
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]prop-2-en-1-one
CID 166406128
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673139
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119883288
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 165433433
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide (CID 86902954) is N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide is O=C(NCCC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1)C1CCCCC1.
What is the InChIKey of N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide?
The InChIKey is XHRXOKAQNMIPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c30-23(12-13-26-25(32)21-8-2-1-3-9-21)28-17-15-27(16-18-28)19-24(31)29-14-6-10-20-7-4-5-11-22(20)29/h4-5,7,11,21H,1-3,6,8-10,12-19H2,(H,26,32).
What are the key properties of N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide?
N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide has a molecular weight of 440.59 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide is sourced from PubChem (CID 86902954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).