1-ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one

C17H22N4O — CID 75506180

IUPAC1-ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(NCc3ccnn3CC)ccc21
InChIInChI=1S/C17H22N4O/c1-3-20-16-7-6-14(11-13(16)5-8-17(20)22)18-12-15-9-10-19-21(15)4-2/h6-7,9-11,18H,3-5,8,12H2,1-2H3
InChIKeyDVZKYZNFLPUFRP-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.81
Rot. Bonds5

About 1-ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one

1-ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one (PubChem CID 75506180) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one
PubChem CID75506180
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(NCc3ccnn3CC)ccc21
InChIInChI=1S/C17H22N4O/c1-3-20-16-7-6-14(11-13(16)5-8-17(20)22)18-12-15-9-10-19-21(15)4-2/h6-7,9-11,18H,3-5,8,12H2,1-2H3
InChIKeyDVZKYZNFLPUFRP-UHFFFAOYSA-N
XLogP2.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309042
N-[4-(Diethylamino)-2-methylphenyl]-2-(4,5,6,7-tetrahydro-2H-indazol-2-YL)acetamide
CID 16012182
N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 16012214
N-(2-fluorobenzyl)-3-{1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}propanamide
CID 16190899
(S)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-amino-3-phenylpropan-1-one
CID 16662114
N-(4-isopropylphenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24793068
N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 53596255
4-[[1-(1,5-dimethylpyrazole-4-carbonyl)-4-piperidyl]amino]-1H-quinolin-2-one
CID 90682476
N-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide
CID 123225257
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-(2-oxo-1-piperidinyl)butanamide
CID 24819294
N-ethyl-3-methyl-1-[(1-methyl-5-phenylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 49790165

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one (CID 75506180) is 1-ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one is CCN1C(=O)CCc2cc(NCc3ccnn3CC)ccc21.
What is the InChIKey of 1-ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one?
The InChIKey is DVZKYZNFLPUFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-20-16-7-6-14(11-13(16)5-8-17(20)22)18-12-15-9-10-19-21(15)4-2/h6-7,9-11,18H,3-5,8,12H2,1-2H3.
What are the key properties of 1-ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one?
1-ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[(2-ethylpyrazol-3-yl)methylamino]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 75506180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).