1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one

C17H21N3O2 — CID 53014951

IUPAC1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one
SMILESCCn1nc(C(=O)N2CCCC(C)C2)c(=O)c2ccccc21
InChIInChI=1S/C17H21N3O2/c1-3-20-14-9-5-4-8-13(14)16(21)15(18-20)17(22)19-10-6-7-12(2)11-19/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyQLLOABRAYKXVJL-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.29
Rot. Bonds2

About 1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one

1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one (PubChem CID 53014951) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one.

Molecular Properties

Compound Name1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one
PubChem CID53014951
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one
SMILESCCn1nc(C(=O)N2CCCC(C)C2)c(=O)c2ccccc21
InChIInChI=1S/C17H21N3O2/c1-3-20-14-9-5-4-8-13(14)16(21)15(18-20)17(22)19-10-6-7-12(2)11-19/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyQLLOABRAYKXVJL-UHFFFAOYSA-N
XLogP2.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 2108113
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-ethylcinnolin-4-one;hydrochloride
CID 120819071
1-ethyl-3-(8-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)cinnolin-4-one
CID 136536217
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxocinnoline-3-carboxamide
CID 15232962
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
(3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone
CID 110856129
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 109071584
4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 95582769
1-ethyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4-oxocinnoline-3-carboxamide
CID 127398306
(1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 18105296

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one?
The IUPAC name of 1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one (CID 53014951) is 1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one.
What is the SMILES notation for 1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one?
The canonical SMILES for 1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one is CCn1nc(C(=O)N2CCCC(C)C2)c(=O)c2ccccc21.
What is the InChIKey of 1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one?
The InChIKey is QLLOABRAYKXVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-20-14-9-5-4-8-13(14)16(21)15(18-20)17(22)19-10-6-7-12(2)11-19/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3.
What are the key properties of 1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one?
1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one has a molecular weight of 299.37 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methylpiperidine-1-carbonyl)cinnolin-4-one is sourced from PubChem (CID 53014951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).