2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one

C21H26N4O2 — CID 146821360

IUPAC2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one
SMILESO=C(Cc1cccnc1)CN1CCN(C2=NC3=C(CCCC3)C(=O)C2)CC1
InChIInChI=1S/C21H26N4O2/c26-17(12-16-4-3-7-22-14-16)15-24-8-10-25(11-9-24)21-13-20(27)18-5-1-2-6-19(18)23-21/h3-4,7,14H,1-2,5-6,8-13,15H2
InChIKeySCCFANIYCDIMCV-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.01
Rot. Bonds4

About 2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one

2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one (PubChem CID 146821360) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one.

Molecular Properties

Compound Name2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one
PubChem CID146821360
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one
SMILESO=C(Cc1cccnc1)CN1CCN(C2=NC3=C(CCCC3)C(=O)C2)CC1
InChIInChI=1S/C21H26N4O2/c26-17(12-16-4-3-7-22-14-16)15-24-8-10-25(11-9-24)21-13-20(27)18-5-1-2-6-19(18)23-21/h3-4,7,14H,1-2,5-6,8-13,15H2
InChIKeySCCFANIYCDIMCV-UHFFFAOYSA-N
XLogP2.01
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one
CID 68943810
2-pyridin-3-yl-1-pyrimidin-5-ylethanone
CID 62553059
2-pyridin-3-ylacetyl chloride
CID 14697475
5-hydroxy-1-pyridin-3-ylpentan-2-one
CID 106677611
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
1-bromo-3-pyridin-3-ylpropan-2-one;hydrobromide
CID 44818466
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
1-pyridin-3-ylpent-4-yn-2-one
CID 62551536
(5R)-9-(2-pyridin-3-ylacetyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95714313
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
5-methyl-1-pyridin-3-ylhex-5-en-2-one
CID 114473524

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one?
The IUPAC name of 2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one (CID 146821360) is 2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one.
What is the SMILES notation for 2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one?
The canonical SMILES for 2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one is O=C(Cc1cccnc1)CN1CCN(C2=NC3=C(CCCC3)C(=O)C2)CC1.
What is the InChIKey of 2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one?
The InChIKey is SCCFANIYCDIMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-17(12-16-4-3-7-22-14-16)15-24-8-10-25(11-9-24)21-13-20(27)18-5-1-2-6-19(18)23-21/h3-4,7,14H,1-2,5-6,8-13,15H2.
What are the key properties of 2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one?
2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one has a molecular weight of 366.47 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one is sourced from PubChem (CID 146821360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).