methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate

C13H14N2O3 — CID 134859415

IUPACmethyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC)c2ccc(N)c(C)c2n1
InChIInChI=1S/C13H14N2O3/c1-7-9(14)5-4-8-11(17-2)6-10(13(16)18-3)15-12(7)8/h4-6H,14H2,1-3H3
InChIKeySOFOWOJVJHPWCR-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.92
Rot. Bonds2

About methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate

methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate (PubChem CID 134859415) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate
PubChem CID134859415
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC)c2ccc(N)c(C)c2n1
InChIInChI=1S/C13H14N2O3/c1-7-9(14)5-4-8-11(17-2)6-10(13(16)18-3)15-12(7)8/h4-6H,14H2,1-3H3
InChIKeySOFOWOJVJHPWCR-UHFFFAOYSA-N
XLogP1.92
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate
CID 114250699
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864
methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102942117
methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate
CID 86205250
methyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134679723
methyl 4-amino-3-methoxybenzoate
CID 602411
5,8-dimethoxyquinoline-2-carboxamide
CID 82242899
methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate
CID 10612292
methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941932
methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941918

Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate?
The IUPAC name of methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate (CID 134859415) is methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate.
What is the SMILES notation for methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate?
The canonical SMILES for methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate is COC(=O)c1cc(OC)c2ccc(N)c(C)c2n1.
What is the InChIKey of methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate?
The InChIKey is SOFOWOJVJHPWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-7-9(14)5-4-8-11(17-2)6-10(13(16)18-3)15-12(7)8/h4-6H,14H2,1-3H3.
What are the key properties of methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate?
methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate is sourced from PubChem (CID 134859415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).