methyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate

C19H16N2O6 — CID 5329284

IUPACmethyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(OC)c(OC)cc2nc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H16N2O6/c1-25-16-9-12-8-14(19(22)27-3)18(20-15(12)10-17(16)26-2)11-4-6-13(7-5-11)21(23)24/h4-10H,1-3H3
InChIKeyZHROVCLRKOLMGN-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.61
Rot. Bonds5

About methyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate

methyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate (PubChem CID 5329284) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is methyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate
PubChem CID5329284
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Namemethyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(OC)c(OC)cc2nc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H16N2O6/c1-25-16-9-12-8-14(19(22)27-3)18(20-15(12)10-17(16)26-2)11-4-6-13(7-5-11)21(23)24/h4-10H,1-3H3
InChIKeyZHROVCLRKOLMGN-UHFFFAOYSA-N
XLogP3.61
TPSA100.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methoxy-5-(4-nitrophenyl)benzoate
CID 69207939
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 119054849
methyl 2-methylsulfanyl-7-(4-nitrophenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 137267298
methyl 3-methoxy-5-(4-nitrophenyl)furan-2-carboxylate
CID 53253836
methyl 2-(4-nitrophenyl)-1,3-benzoxazole-7-carboxylate
CID 12000588
methyl 2-methoxy-5-(4-nitrophenyl)sulfanylbenzoate
CID 91878933
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
methyl 4,5-dimethoxy-2-[[(2S)-2-(4-nitrophenyl)propanoyl]amino]benzoate
CID 1313519
dimethyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3,4-dicarboxylate
CID 10882134
methyl 2-(bromomethyl)-4-(4-nitrophenyl)benzoate
CID 67305902
methyl 2,4-dichloro-5-(4-nitrophenyl)benzoate
CID 54792410

Frequently Asked Questions

What is the IUPAC name of methyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate?
The IUPAC name of methyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate (CID 5329284) is methyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate.
What is the SMILES notation for methyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate?
The canonical SMILES for methyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate is COC(=O)c1cc2cc(OC)c(OC)cc2nc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of methyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate?
The InChIKey is ZHROVCLRKOLMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-25-16-9-12-8-14(19(22)27-3)18(20-15(12)10-17(16)26-2)11-4-6-13(7-5-11)21(23)24/h4-10H,1-3H3.
What are the key properties of methyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate?
methyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate has a molecular weight of 368.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,7-dimethoxy-2-(4-nitrophenyl)quinoline-3-carboxylate is sourced from PubChem (CID 5329284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).