6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C18H21N5O2 — CID 154762702

IUPAC6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1cc(C2CNCCN2C(=O)c2ccc3c(c2)CCC(=O)N3)cn1
InChIInChI=1S/C18H21N5O2/c1-22-11-14(9-20-22)16-10-19-6-7-23(16)18(25)13-2-4-15-12(8-13)3-5-17(24)21-15/h2,4,8-9,11,16,19H,3,5-7,10H2,1H3,(H,21,24)
InChIKeyZJVVXLMUVOERSD-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.09
Rot. Bonds2

About 6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 154762702) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID154762702
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1cc(C2CNCCN2C(=O)c2ccc3c(c2)CCC(=O)N3)cn1
InChIInChI=1S/C18H21N5O2/c1-22-11-14(9-20-22)16-10-19-6-7-23(16)18(25)13-2-4-15-12(8-13)3-5-17(24)21-15/h2,4,8-9,11,16,19H,3,5-7,10H2,1H3,(H,21,24)
InChIKeyZJVVXLMUVOERSD-UHFFFAOYSA-N
XLogP1.09
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82294809
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 102711615
6-(2-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13369760
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-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95475622
1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid
CID 102711591
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
(2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 126767718
6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 86794079
6-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 86911989
(3S)-4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)morpholine-3-carboxylic acid
CID 125133531
6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 126811624

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 154762702) is 6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is Cn1cc(C2CNCCN2C(=O)c2ccc3c(c2)CCC(=O)N3)cn1.
What is the InChIKey of 6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZJVVXLMUVOERSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-22-11-14(9-20-22)16-10-19-6-7-23(16)18(25)13-2-4-15-12(8-13)3-5-17(24)21-15/h2,4,8-9,11,16,19H,3,5-7,10H2,1H3,(H,21,24).
What are the key properties of 6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 154762702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).