2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate

C16H10N2O4-2 — CID 3292528

IUPAC2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate
SMILESCc1cc(C(=O)[O-])c2cc3c(C(=O)[O-])cc(C)nc3cc2n1
InChIInChI=1S/C16H12N2O4/c1-7-3-11(15(19)20)9-5-10-12(16(21)22)4-8(2)18-14(10)6-13(9)17-7/h3-6H,1-2H3,(H,19,20)(H,21,22)/p-2
InChIKeyVPPPQZDTHYLDSP-UHFFFAOYSA-L
MW294.27 g/mol
LogP0.13
Rot. Bonds2

About 2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate

2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate (PubChem CID 3292528) has the molecular formula C16H10N2O4-2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate.

Molecular Properties

Compound Name2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate
PubChem CID3292528
Molecular FormulaC16H10N2O4-2
Molecular Weight294.27 g/mol
Exact Mass294.07
IUPAC Name2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate
SMILESCc1cc(C(=O)[O-])c2cc3c(C(=O)[O-])cc(C)nc3cc2n1
InChIInChI=1S/C16H12N2O4/c1-7-3-11(15(19)20)9-5-10-12(16(21)22)4-8(2)18-14(10)6-13(9)17-7/h3-6H,1-2H3,(H,19,20)(H,21,22)/p-2
InChIKeyVPPPQZDTHYLDSP-UHFFFAOYSA-L
XLogP0.13
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,7-dichloro-2-methylquinoline-4-carboxylate
CID 7200781
4-carboxy-2-methylquinolin-6-olate
CID 54706535
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate
CID 23688649
6-(disulfanyl)-2-methylquinoline-4-carboxylic acid
CID 123387411
6-iodo-2-methylquinoline-4-carboxamide
CID 12511256
7-chloro-2-methylquinoline-4-carboxamide
CID 82574049
2-methyl-6-nitroquinoline-4-carboxamide
CID 22397065
potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate
CID 23686843
6-butyl-2-methylquinoline-4-carboxylic acid
CID 4572965
2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide
CID 82574068

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate?
The IUPAC name of 2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate (CID 3292528) is 2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate.
What is the SMILES notation for 2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate?
The canonical SMILES for 2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate is Cc1cc(C(=O)[O-])c2cc3c(C(=O)[O-])cc(C)nc3cc2n1.
What is the InChIKey of 2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate?
The InChIKey is VPPPQZDTHYLDSP-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H12N2O4/c1-7-3-11(15(19)20)9-5-10-12(16(21)22)4-8(2)18-14(10)6-13(9)17-7/h3-6H,1-2H3,(H,19,20)(H,21,22)/p-2.
What are the key properties of 2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate?
2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate has a molecular weight of 294.27 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate is sourced from PubChem (CID 3292528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).