6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one

C17H14N2O2 — CID 52998483

IUPAC6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
SMILESCc1cc2[nH]cc(C(=O)c3ccncc3)c(=O)c2cc1C
InChIInChI=1S/C17H14N2O2/c1-10-7-13-15(8-11(10)2)19-9-14(17(13)21)16(20)12-3-5-18-6-4-12/h3-9H,1-2H3,(H,19,21)
InChIKeySXHXZSWLXQQIJG-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.77
Rot. Bonds2

About 6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one

6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one (PubChem CID 52998483) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
PubChem CID52998483
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
SMILESCc1cc2[nH]cc(C(=O)c3ccncc3)c(=O)c2cc1C
InChIInChI=1S/C17H14N2O2/c1-10-7-13-15(8-11(10)2)19-9-14(17(13)21)16(20)12-3-5-18-6-4-12/h3-9H,1-2H3,(H,19,21)
InChIKeySXHXZSWLXQQIJG-UHFFFAOYSA-N
XLogP2.77
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one?
The IUPAC name of 6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one (CID 52998483) is 6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one.
What is the SMILES notation for 6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one?
The canonical SMILES for 6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one is Cc1cc2[nH]cc(C(=O)c3ccncc3)c(=O)c2cc1C.
What is the InChIKey of 6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one?
The InChIKey is SXHXZSWLXQQIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-10-7-13-15(8-11(10)2)19-9-14(17(13)21)16(20)12-3-5-18-6-4-12/h3-9H,1-2H3,(H,19,21).
What are the key properties of 6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one?
6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one has a molecular weight of 278.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one is sourced from PubChem (CID 52998483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).