methyl 8-methyl-3-(2-methylanilino)-4-oxo-3H-quinoline-2-carboxylate

C19H18N2O3 — CID 91739667

IUPACmethyl 8-methyl-3-(2-methylanilino)-4-oxo-3H-quinoline-2-carboxylate
SMILESCOC(=O)C1=Nc2c(C)cccc2C(=O)C1Nc1ccccc1C
InChIInChI=1S/C19H18N2O3/c1-11-7-4-5-10-14(11)20-16-17(19(23)24-3)21-15-12(2)8-6-9-13(15)18(16)22/h4-10,16,20H,1-3H3
InChIKeyVLMHFRPZOLUZCL-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.23
Rot. Bonds3

About methyl 8-methyl-3-(2-methylanilino)-4-oxo-3H-quinoline-2-carboxylate

methyl 8-methyl-3-(2-methylanilino)-4-oxo-3H-quinoline-2-carboxylate (PubChem CID 91739667) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 8-methyl-3-(2-methylanilino)-4-oxo-3H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-3-(2-methylanilino)-4-oxo-3H-quinoline-2-carboxylate
PubChem CID91739667
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl 8-methyl-3-(2-methylanilino)-4-oxo-3H-quinoline-2-carboxylate
SMILESCOC(=O)C1=Nc2c(C)cccc2C(=O)C1Nc1ccccc1C
InChIInChI=1S/C19H18N2O3/c1-11-7-4-5-10-14(11)20-16-17(19(23)24-3)21-15-12(2)8-6-9-13(15)18(16)22/h4-10,16,20H,1-3H3
InChIKeyVLMHFRPZOLUZCL-UHFFFAOYSA-N
XLogP3.23
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide
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methyl 3-methoxy-4-(2-methylanilino)benzoate
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methyl (1S,2R,10S,11S)-16-methyl-9,18-dioxopentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaene-7-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-3-(2-methylanilino)-4-oxo-3H-quinoline-2-carboxylate?
The IUPAC name of methyl 8-methyl-3-(2-methylanilino)-4-oxo-3H-quinoline-2-carboxylate (CID 91739667) is methyl 8-methyl-3-(2-methylanilino)-4-oxo-3H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 8-methyl-3-(2-methylanilino)-4-oxo-3H-quinoline-2-carboxylate?
The canonical SMILES for methyl 8-methyl-3-(2-methylanilino)-4-oxo-3H-quinoline-2-carboxylate is COC(=O)C1=Nc2c(C)cccc2C(=O)C1Nc1ccccc1C.
What is the InChIKey of methyl 8-methyl-3-(2-methylanilino)-4-oxo-3H-quinoline-2-carboxylate?
The InChIKey is VLMHFRPZOLUZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-11-7-4-5-10-14(11)20-16-17(19(23)24-3)21-15-12(2)8-6-9-13(15)18(16)22/h4-10,16,20H,1-3H3.
What are the key properties of methyl 8-methyl-3-(2-methylanilino)-4-oxo-3H-quinoline-2-carboxylate?
methyl 8-methyl-3-(2-methylanilino)-4-oxo-3H-quinoline-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-3-(2-methylanilino)-4-oxo-3H-quinoline-2-carboxylate is sourced from PubChem (CID 91739667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).