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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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).