5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one

C16H19N3O — CID 151170288

IUPAC5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESC#CCC1CNCCN1c1cccc2c1CCC(=O)N2
InChIInChI=1S/C16H19N3O/c1-2-4-12-11-17-9-10-19(12)15-6-3-5-14-13(15)7-8-16(20)18-14/h1,3,5-6,12,17H,4,7-11H2,(H,18,20)
InChIKeyNCDAUYGEFMNLKM-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.37
Rot. Bonds2

About 5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one

5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 151170288) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID151170288
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESC#CCC1CNCCN1c1cccc2c1CCC(=O)N2
InChIInChI=1S/C16H19N3O/c1-2-4-12-11-17-9-10-19(12)15-6-3-5-14-13(15)7-8-16(20)18-14/h1,3,5-6,12,17H,4,7-11H2,(H,18,20)
InChIKeyNCDAUYGEFMNLKM-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione
CID 168517670
8-chloro-2,3,4,4a,5,7-hexahydro-1H-pyrazino[1,2-a][1,5]benzodiazepin-6-one
CID 53240726
5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 13236332
5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 162620911
5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
CID 84655921
5-[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 155559588
1-(3-chloro-2-methylphenyl)-2-ethylpiperazine
CID 64936902
5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13243491
1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 171406933
9-piperazin-1-yl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82232263
10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84640093
10-[2-(3-chlorophenyl)ethenyl]-2,3,4,4a,5,7-hexahydro-1H-pyrazino[1,2-a][1,5]benzodiazepin-6-one
CID 67250200

Frequently Asked Questions

What is the IUPAC name of 5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one (CID 151170288) is 5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one is C#CCC1CNCCN1c1cccc2c1CCC(=O)N2.
What is the InChIKey of 5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NCDAUYGEFMNLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-4-12-11-17-9-10-19(12)15-6-3-5-14-13(15)7-8-16(20)18-14/h1,3,5-6,12,17H,4,7-11H2,(H,18,20).
What are the key properties of 5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 269.35 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-prop-2-ynylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 151170288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).