1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione

C17H12N2O3 — CID 59869037

IUPAC1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione
SMILESCOc1cccc(C(=O)C(=O)c2ccc3ncccc3c2)n1
InChIInChI=1S/C17H12N2O3/c1-22-15-6-2-5-14(19-15)17(21)16(20)12-7-8-13-11(10-12)4-3-9-18-13/h2-10H,1H3
InChIKeyGACKCUCZSGCPAS-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.70
Rot. Bonds4

About 1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione

1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione (PubChem CID 59869037) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione
PubChem CID59869037
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione
SMILESCOc1cccc(C(=O)C(=O)c2ccc3ncccc3c2)n1
InChIInChI=1S/C17H12N2O3/c1-22-15-6-2-5-14(19-15)17(21)16(20)12-7-8-13-11(10-12)4-3-9-18-13/h2-10H,1H3
InChIKeyGACKCUCZSGCPAS-UHFFFAOYSA-N
XLogP2.70
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethoxy-1-quinolin-6-ylethanone
CID 81221029
ethane;quinoline-6-carboxylic acid
CID 91364452
(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
CID 62850433
N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192099
(6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone
CID 102950015
6-methoxypyridine-2-carboxamide;hydrochloride
CID 172737528
prop-2-enyl 2-oxo-2-quinolin-6-ylacetate
CID 68561786
6-methoxypyridine-2-carbonyl chloride
CID 86688296
(5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone
CID 78917671
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769
N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide
CID 69276532
(2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-6-ylmethanone
CID 122182218

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione?
The IUPAC name of 1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione (CID 59869037) is 1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione.
What is the SMILES notation for 1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione?
The canonical SMILES for 1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione is COc1cccc(C(=O)C(=O)c2ccc3ncccc3c2)n1.
What is the InChIKey of 1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione?
The InChIKey is GACKCUCZSGCPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c1-22-15-6-2-5-14(19-15)17(21)16(20)12-7-8-13-11(10-12)4-3-9-18-13/h2-10H,1H3.
What are the key properties of 1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione?
1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione has a molecular weight of 292.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione is sourced from PubChem (CID 59869037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).