6,7-dimethyl-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one

C16H16N2O — CID 2996880

IUPAC6,7-dimethyl-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)C(c1ccncc1)CC(=O)N2
InChIInChI=1S/C16H16N2O/c1-10-7-14-13(12-3-5-17-6-4-12)9-16(19)18-15(14)8-11(10)2/h3-8,13H,9H2,1-2H3,(H,18,19)
InChIKeyWOBJZHUBPAGZCK-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.17
Rot. Bonds1

About 6,7-dimethyl-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one

6,7-dimethyl-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2996880) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 6,7-dimethyl-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethyl-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID2996880
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name6,7-dimethyl-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)C(c1ccncc1)CC(=O)N2
InChIInChI=1S/C16H16N2O/c1-10-7-14-13(12-3-5-17-6-4-12)9-16(19)18-15(14)8-11(10)2/h3-8,13H,9H2,1-2H3,(H,18,19)
InChIKeyWOBJZHUBPAGZCK-UHFFFAOYSA-N
XLogP3.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethyl-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one (CID 2996880) is 6,7-dimethyl-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethyl-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethyl-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(cc1C)C(c1ccncc1)CC(=O)N2.
What is the InChIKey of 6,7-dimethyl-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WOBJZHUBPAGZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10-7-14-13(12-3-5-17-6-4-12)9-16(19)18-15(14)8-11(10)2/h3-8,13H,9H2,1-2H3,(H,18,19).
What are the key properties of 6,7-dimethyl-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one?
6,7-dimethyl-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 252.32 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-pyridin-4-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2996880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).