7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C14H18ClN3O2 — CID 13369863

IUPAC7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCl.O=C1CCc2ccc(C(=O)N3CCNCC3)cc2N1
InChIInChI=1S/C14H17N3O2.ClH/c18-13-4-3-10-1-2-11(9-12(10)16-13)14(19)17-7-5-15-6-8-17;/h1-2,9,15H,3-8H2,(H,16,18);1H
InChIKeyGNDWMXGYGHZYHQ-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.04
Rot. Bonds1

About 7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride

7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 13369863) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID13369863
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCl.O=C1CCc2ccc(C(=O)N3CCNCC3)cc2N1
InChIInChI=1S/C14H17N3O2.ClH/c18-13-4-3-10-1-2-11(9-12(10)16-13)14(19)17-7-5-15-6-8-17;/h1-2,9,15H,3-8H2,(H,16,18);1H
InChIKeyGNDWMXGYGHZYHQ-UHFFFAOYSA-N
XLogP1.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95475622
6-(3-methylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119577687
1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 119414334
6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102711587
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 120658327
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369772
4-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2,6-dione
CID 102712523
7-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13236385
6-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110815253
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343

Frequently Asked Questions

What is the IUPAC name of 7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 13369863) is 7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride is Cl.O=C1CCc2ccc(C(=O)N3CCNCC3)cc2N1.
What is the InChIKey of 7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is GNDWMXGYGHZYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c18-13-4-3-10-1-2-11(9-12(10)16-13)14(19)17-7-5-15-6-8-17;/h1-2,9,15H,3-8H2,(H,16,18);1H.
What are the key properties of 7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 13369863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).