1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one

C18H24N4O — CID 75506681

IUPAC1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(NC(C)CCn3cccn3)ccc21
InChIInChI=1S/C18H24N4O/c1-3-22-17-7-6-16(13-15(17)5-8-18(22)23)20-14(2)9-12-21-11-4-10-19-21/h4,6-7,10-11,13-14,20H,3,5,8-9,12H2,1-2H3
InChIKeyACCBBQNSSKAIHX-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.07
Rot. Bonds6

About 1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one

1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one (PubChem CID 75506681) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one
PubChem CID75506681
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(NC(C)CCn3cccn3)ccc21
InChIInChI=1S/C18H24N4O/c1-3-22-17-7-6-16(13-15(17)5-8-18(22)23)20-14(2)9-12-21-11-4-10-19-21/h4,6-7,10-11,13-14,20H,3,5,8-9,12H2,1-2H3
InChIKeyACCBBQNSSKAIHX-UHFFFAOYSA-N
XLogP3.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.07
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-(2-fluorobenzyl)-3-{1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}propanamide
CID 16190899
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
N-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyrazol-1-ylpropanamide
CID 71878691
4-[[1-(1,5-dimethylpyrazole-4-carbonyl)-4-piperidyl]amino]-1H-quinolin-2-one
CID 90682476
1-[[2-Fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one
CID 71540385
6-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3,4-dihydroquinolin-2(1H)-one
CID 165437157
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[3-(1H-pyrazol-1-yl)benzyl]acetamide
CID 16188976
6-oxo-1-(2-phenylethyl)-N-[3-(1H-pyrazol-1-yl)propyl]-3-piperidinecarboxamide
CID 24791087
N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5308661
N-(3,4-difluorobenzyl)-3-{1-[3-(3-methyl-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}propanamide
CID 16190349

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one (CID 75506681) is 1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one is CCN1C(=O)CCc2cc(NC(C)CCn3cccn3)ccc21.
What is the InChIKey of 1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one?
The InChIKey is ACCBBQNSSKAIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-22-17-7-6-16(13-15(17)5-8-18(22)23)20-14(2)9-12-21-11-4-10-19-21/h4,6-7,10-11,13-14,20H,3,5,8-9,12H2,1-2H3.
What are the key properties of 1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one?
1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one has a molecular weight of 312.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 75506681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).