6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one

C16H20N4O — CID 43737897

IUPAC6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nn(C)c(C)c1CNc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H20N4O/c1-10-14(11(2)20(3)19-10)9-17-13-5-6-15-12(8-13)4-7-16(21)18-15/h5-6,8,17H,4,7,9H2,1-3H3,(H,18,21)
InChIKeyJXYJZZIXFOKEMT-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.53
Rot. Bonds3

About 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one

6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43737897) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43737897
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nn(C)c(C)c1CNc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H20N4O/c1-10-14(11(2)20(3)19-10)9-17-13-5-6-15-12(8-13)4-7-16(21)18-15/h5-6,8,17H,4,7,9H2,1-3H3,(H,18,21)
InChIKeyJXYJZZIXFOKEMT-UHFFFAOYSA-N
XLogP2.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 43737897) is 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is Cc1nn(C)c(C)c1CNc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JXYJZZIXFOKEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-14(11(2)20(3)19-10)9-17-13-5-6-15-12(8-13)4-7-16(21)18-15/h5-6,8,17H,4,7,9H2,1-3H3,(H,18,21).
What are the key properties of 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43737897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).