2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid

C16H12N2O4 — CID 2749573

IUPAC2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid
SMILESCc1nc2cc3nc(C)c(C(=O)O)cc3cc2cc1C(=O)O
InChIInChI=1S/C16H12N2O4/c1-7-11(15(19)20)4-9-3-10-5-12(16(21)22)8(2)18-14(10)6-13(9)17-7/h3-6H,1-2H3,(H,19,20)(H,21,22)
InChIKeySPXNMONQOUGWKS-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.80
Rot. Bonds2

About 2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid

2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid (PubChem CID 2749573) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid.

Molecular Properties

Compound Name2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid
PubChem CID2749573
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid
SMILESCc1nc2cc3nc(C)c(C(=O)O)cc3cc2cc1C(=O)O
InChIInChI=1S/C16H12N2O4/c1-7-11(15(19)20)4-9-3-10-5-12(16(21)22)8(2)18-14(10)6-13(9)17-7/h3-6H,1-2H3,(H,19,20)(H,21,22)
InChIKeySPXNMONQOUGWKS-UHFFFAOYSA-N
XLogP2.80
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-2-methylquinoline-3-carboxylic acid
CID 17039997
5-bromo-2,6-dimethylpyridine-3-carboxylic acid
CID 130636897
5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
CID 68669960
6-ethyl-2,5-dimethylpyridine-3-carboxylic acid
CID 112692937
6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 159654807
8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride
CID 119031045
6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid
CID 112562057
5-chloro-6-formyl-2-methylpyridine-3-carboxylic acid
CID 175538652
phenazine-2,3,7,8-tetracarboxylic acid
CID 22152551
2,6,7-trichloroquinoline-3-carboxylic acid
CID 22341156
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide
CID 4732209

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid?
The IUPAC name of 2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid (CID 2749573) is 2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid.
What is the SMILES notation for 2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid?
The canonical SMILES for 2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid is Cc1nc2cc3nc(C)c(C(=O)O)cc3cc2cc1C(=O)O.
What is the InChIKey of 2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid?
The InChIKey is SPXNMONQOUGWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-7-11(15(19)20)4-9-3-10-5-12(16(21)22)8(2)18-14(10)6-13(9)17-7/h3-6H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid?
2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid has a molecular weight of 296.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid is sourced from PubChem (CID 2749573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).