methyl 2-amino-8-methylquinoline-3-carboxylate

C12H12N2O2 — CID 135393173

IUPACmethyl 2-amino-8-methylquinoline-3-carboxylate
SMILESCOC(=O)c1cc2cccc(C)c2nc1N
InChIInChI=1S/C12H12N2O2/c1-7-4-3-5-8-6-9(12(15)16-2)11(13)14-10(7)8/h3-6H,1-2H3,(H2,13,14)
InChIKeyDIVZJOVJNNMCEP-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.91
Rot. Bonds1

About methyl 2-amino-8-methylquinoline-3-carboxylate

methyl 2-amino-8-methylquinoline-3-carboxylate (PubChem CID 135393173) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 2-amino-8-methylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-8-methylquinoline-3-carboxylate
PubChem CID135393173
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namemethyl 2-amino-8-methylquinoline-3-carboxylate
SMILESCOC(=O)c1cc2cccc(C)c2nc1N
InChIInChI=1S/C12H12N2O2/c1-7-4-3-5-8-6-9(12(15)16-2)11(13)14-10(7)8/h3-6H,1-2H3,(H2,13,14)
InChIKeyDIVZJOVJNNMCEP-UHFFFAOYSA-N
XLogP1.91
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-8-fluoroquinoline-3-carboxylate
CID 135392236
methyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate
CID 10923721
methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate
CID 131521858
ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate
CID 865150
methyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 68941385
methyl 2-chloro-8-(trifluoromethyl)quinoline-3-carboxylate
CID 117246678
methyl 6-iodoacridine-4-carboxylate
CID 59228701
methyl 2-amino-6-(formamidomethyl)pyridine-3-carboxylate
CID 156808956
methyl cinnoline-8-carboxylate
CID 133080920
methyl 2-amino-3-(2-chloro-8-methylquinolin-3-yl)propanoate
CID 170883499
methyl (4S)-6-amino-4-(2-chloro-8-methylquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 1374274
dimethyl 3-methylbenzene-1,2-dicarboxylate;ethane
CID 144706370

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-8-methylquinoline-3-carboxylate?
The IUPAC name of methyl 2-amino-8-methylquinoline-3-carboxylate (CID 135393173) is methyl 2-amino-8-methylquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-amino-8-methylquinoline-3-carboxylate?
The canonical SMILES for methyl 2-amino-8-methylquinoline-3-carboxylate is COC(=O)c1cc2cccc(C)c2nc1N.
What is the InChIKey of methyl 2-amino-8-methylquinoline-3-carboxylate?
The InChIKey is DIVZJOVJNNMCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-4-3-5-8-6-9(12(15)16-2)11(13)14-10(7)8/h3-6H,1-2H3,(H2,13,14).
What are the key properties of methyl 2-amino-8-methylquinoline-3-carboxylate?
methyl 2-amino-8-methylquinoline-3-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-8-methylquinoline-3-carboxylate is sourced from PubChem (CID 135393173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).