3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one

C20H23N5O2 — CID 18146034

IUPAC3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2CC1CCC(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C20H23N5O2/c26-19(25-11-9-24(10-12-25)18-14-21-7-8-22-18)6-5-16-13-15-3-1-2-4-17(15)23-20(16)27/h1-4,7-8,14,16H,5-6,9-13H2,(H,23,27)
InChIKeyJJTQPNHPWAYSNP-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.72
Rot. Bonds4

About 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one

3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 18146034) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID18146034
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2CC1CCC(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C20H23N5O2/c26-19(25-11-9-24(10-12-25)18-14-21-7-8-22-18)6-5-16-13-15-3-1-2-4-17(15)23-20(16)27/h1-4,7-8,14,16H,5-6,9-13H2,(H,23,27)
InChIKeyJJTQPNHPWAYSNP-UHFFFAOYSA-N
XLogP1.72
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

(3S)-1-[3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]pyrrolidine-3-carboxylic acid
CID 124703211
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 24633457
3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 43044253
3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 56817723
3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119577735
4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 31038718
3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 24609034
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
(3S)-2-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125132973
3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 166189422
(3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 25477633
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one (CID 18146034) is 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one is O=C1Nc2ccccc2CC1CCC(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JJTQPNHPWAYSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-19(25-11-9-24(10-12-25)18-14-21-7-8-22-18)6-5-16-13-15-3-1-2-4-17(15)23-20(16)27/h1-4,7-8,14,16H,5-6,9-13H2,(H,23,27).
What are the key properties of 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one?
3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 365.44 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 18146034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).