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

C17H13ClN2O2 — CID 143389913

IUPAC3-(6-chloropyridine-3-carbonyl)-6,7-dimethyl-1H-quinolin-4-one
SMILESCc1cc2[nH]cc(C(=O)c3ccc(Cl)nc3)c(=O)c2cc1C
InChIInChI=1S/C17H13ClN2O2/c1-9-5-12-14(6-10(9)2)19-8-13(17(12)22)16(21)11-3-4-15(18)20-7-11/h3-8H,1-2H3,(H,19,22)
InChIKeyKGYCULIJKOMYBG-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.42
Rot. Bonds2

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

3-(6-chloropyridine-3-carbonyl)-6,7-dimethyl-1H-quinolin-4-one (PubChem CID 143389913) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 3-(6-chloropyridine-3-carbonyl)-6,7-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(6-chloropyridine-3-carbonyl)-6,7-dimethyl-1H-quinolin-4-one
PubChem CID143389913
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name3-(6-chloropyridine-3-carbonyl)-6,7-dimethyl-1H-quinolin-4-one
SMILESCc1cc2[nH]cc(C(=O)c3ccc(Cl)nc3)c(=O)c2cc1C
InChIInChI=1S/C17H13ClN2O2/c1-9-5-12-14(6-10(9)2)19-8-13(17(12)22)16(21)11-3-4-15(18)20-7-11/h3-8H,1-2H3,(H,19,22)
InChIKeyKGYCULIJKOMYBG-UHFFFAOYSA-N
XLogP3.42
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyridine-3-carbonyl)-6,7-dimethyl-1H-quinolin-4-one?
The IUPAC name of 3-(6-chloropyridine-3-carbonyl)-6,7-dimethyl-1H-quinolin-4-one (CID 143389913) is 3-(6-chloropyridine-3-carbonyl)-6,7-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3-(6-chloropyridine-3-carbonyl)-6,7-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 3-(6-chloropyridine-3-carbonyl)-6,7-dimethyl-1H-quinolin-4-one is Cc1cc2[nH]cc(C(=O)c3ccc(Cl)nc3)c(=O)c2cc1C.
What is the InChIKey of 3-(6-chloropyridine-3-carbonyl)-6,7-dimethyl-1H-quinolin-4-one?
The InChIKey is KGYCULIJKOMYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-9-5-12-14(6-10(9)2)19-8-13(17(12)22)16(21)11-3-4-15(18)20-7-11/h3-8H,1-2H3,(H,19,22).
What are the key properties of 3-(6-chloropyridine-3-carbonyl)-6,7-dimethyl-1H-quinolin-4-one?
3-(6-chloropyridine-3-carbonyl)-6,7-dimethyl-1H-quinolin-4-one has a molecular weight of 312.76 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyridine-3-carbonyl)-6,7-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 143389913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).