methyl 2-amino-7-methylquinoline-4-carboxylate

C12H12N2O2 — CID 84622204

IUPACmethyl 2-amino-7-methylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(N)nc2cc(C)ccc12
InChIInChI=1S/C12H12N2O2/c1-7-3-4-8-9(12(15)16-2)6-11(13)14-10(8)5-7/h3-6H,1-2H3,(H2,13,14)
InChIKeyLCFHXKTWSBQFNM-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.91
Rot. Bonds1

About methyl 2-amino-7-methylquinoline-4-carboxylate

methyl 2-amino-7-methylquinoline-4-carboxylate (PubChem CID 84622204) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 2-amino-7-methylquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-7-methylquinoline-4-carboxylate
PubChem CID84622204
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namemethyl 2-amino-7-methylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(N)nc2cc(C)ccc12
InChIInChI=1S/C12H12N2O2/c1-7-3-4-8-9(12(15)16-2)6-11(13)14-10(8)5-7/h3-6H,1-2H3,(H2,13,14)
InChIKeyLCFHXKTWSBQFNM-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-6-fluoroquinoline-4-carboxylate
CID 84623443
ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate
CID 142143445
ethyl 2-chloro-7-methylquinoline-4-carboxylate
CID 143772126
dimethyl 7-bromoquinoline-2,4-dicarboxylate
CID 67245888
methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate
CID 84626017
methyl 3-amino-7-methylquinoline-4-carboxylate
CID 115029491
methyl 2-bromo-5-methylbenzoate
CID 15110996
methyl 6-amino-2,3-dichloropyridine-4-carboxylate
CID 130951422
methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate
CID 84634022
2,4-dimethoxy-7-methylquinoline
CID 70166740
methyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate
CID 130063207
2-tert-butyl-7-methylquinoline-4-carboxylic acid
CID 82184128

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-7-methylquinoline-4-carboxylate?
The IUPAC name of methyl 2-amino-7-methylquinoline-4-carboxylate (CID 84622204) is methyl 2-amino-7-methylquinoline-4-carboxylate.
What is the SMILES notation for methyl 2-amino-7-methylquinoline-4-carboxylate?
The canonical SMILES for methyl 2-amino-7-methylquinoline-4-carboxylate is COC(=O)c1cc(N)nc2cc(C)ccc12.
What is the InChIKey of methyl 2-amino-7-methylquinoline-4-carboxylate?
The InChIKey is LCFHXKTWSBQFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-3-4-8-9(12(15)16-2)6-11(13)14-10(8)5-7/h3-6H,1-2H3,(H2,13,14).
What are the key properties of methyl 2-amino-7-methylquinoline-4-carboxylate?
methyl 2-amino-7-methylquinoline-4-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-7-methylquinoline-4-carboxylate is sourced from PubChem (CID 84622204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).