6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one

C16H20N4O — CID 103817912

IUPAC6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)n1cc(CNc2ccc3c(c2)CCC(=O)N3)cn1
InChIInChI=1S/C16H20N4O/c1-11(2)20-10-12(9-18-20)8-17-14-4-5-15-13(7-14)3-6-16(21)19-15/h4-5,7,9-11,17H,3,6,8H2,1-2H3,(H,19,21)
InChIKeyBISQSZOIGPGNDD-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.96
Rot. Bonds4

About 6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one

6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 103817912) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID103817912
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)n1cc(CNc2ccc3c(c2)CCC(=O)N3)cn1
InChIInChI=1S/C16H20N4O/c1-11(2)20-10-12(9-18-20)8-17-14-4-5-15-13(7-14)3-6-16(21)19-15/h4-5,7,9-11,17H,3,6,8H2,1-2H3,(H,19,21)
InChIKeyBISQSZOIGPGNDD-UHFFFAOYSA-N
XLogP2.96
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 104749401
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
3-bromo-4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103818279
4-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103825724
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 103825746
6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82285548
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103816369
6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737966
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231431
6-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737992
6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723892

Frequently Asked Questions

What is the IUPAC name of 6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 103817912) is 6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is CC(C)n1cc(CNc2ccc3c(c2)CCC(=O)N3)cn1.
What is the InChIKey of 6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BISQSZOIGPGNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(2)20-10-12(9-18-20)8-17-14-4-5-15-13(7-14)3-6-16(21)19-15/h4-5,7,9-11,17H,3,6,8H2,1-2H3,(H,19,21).
What are the key properties of 6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 103817912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).