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

C23H32N4O3 — CID 86903006

IUPACN-[1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C23H32N4O3/c1-17(24-22(29)19-7-4-8-19)23(30)26-14-12-25(13-15-26)16-21(28)27-11-5-9-18-6-2-3-10-20(18)27/h2-3,6,10,17,19H,4-5,7-9,11-16H2,1H3,(H,24,29)
InChIKeyPWQFVSYCFVRFJL-UHFFFAOYSA-N
MW412.53 g/mol
LogP1.41
Rot. Bonds5

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

N-[1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide (PubChem CID 86903006) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide
PubChem CID86903006
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-[1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C23H32N4O3/c1-17(24-22(29)19-7-4-8-19)23(30)26-14-12-25(13-15-26)16-21(28)27-11-5-9-18-6-2-3-10-20(18)27/h2-3,6,10,17,19H,4-5,7-9,11-16H2,1H3,(H,24,29)
InChIKeyPWQFVSYCFVRFJL-UHFFFAOYSA-N
XLogP1.41
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide
CID 86902954
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
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-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 51271595
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
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-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119928044
methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95637304
(2S)-2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119857356
N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165433473
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119925626

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide (CID 86903006) is N-[1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide is CC(NC(=O)C1CCC1)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of N-[1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The InChIKey is PWQFVSYCFVRFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-17(24-22(29)19-7-4-8-19)23(30)26-14-12-25(13-15-26)16-21(28)27-11-5-9-18-6-2-3-10-20(18)27/h2-3,6,10,17,19H,4-5,7-9,11-16H2,1H3,(H,24,29).
What are the key properties of N-[1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide?
N-[1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide has a molecular weight of 412.53 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 86903006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).