methyl 4-amino-2,5-dimethylquinoline-3-carboxylate

C13H14N2O2 — CID 18326317

IUPACmethyl 4-amino-2,5-dimethylquinoline-3-carboxylate
SMILESCOC(=O)c1c(C)nc2cccc(C)c2c1N
InChIInChI=1S/C13H14N2O2/c1-7-5-4-6-9-10(7)12(14)11(8(2)15-9)13(16)17-3/h4-6H,1-3H3,(H2,14,15)
InChIKeyZOMHWOXJLVFYRZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.22
Rot. Bonds1

About methyl 4-amino-2,5-dimethylquinoline-3-carboxylate

methyl 4-amino-2,5-dimethylquinoline-3-carboxylate (PubChem CID 18326317) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl 4-amino-2,5-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2,5-dimethylquinoline-3-carboxylate
PubChem CID18326317
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethyl 4-amino-2,5-dimethylquinoline-3-carboxylate
SMILESCOC(=O)c1c(C)nc2cccc(C)c2c1N
InChIInChI=1S/C13H14N2O2/c1-7-5-4-6-9-10(7)12(14)11(8(2)15-9)13(16)17-3/h4-6H,1-3H3,(H2,14,15)
InChIKeyZOMHWOXJLVFYRZ-UHFFFAOYSA-N
XLogP2.22
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2,5-dimethylquinoline-3-carboxylate?
The IUPAC name of methyl 4-amino-2,5-dimethylquinoline-3-carboxylate (CID 18326317) is methyl 4-amino-2,5-dimethylquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-amino-2,5-dimethylquinoline-3-carboxylate?
The canonical SMILES for methyl 4-amino-2,5-dimethylquinoline-3-carboxylate is COC(=O)c1c(C)nc2cccc(C)c2c1N.
What is the InChIKey of methyl 4-amino-2,5-dimethylquinoline-3-carboxylate?
The InChIKey is ZOMHWOXJLVFYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-7-5-4-6-9-10(7)12(14)11(8(2)15-9)13(16)17-3/h4-6H,1-3H3,(H2,14,15).
What are the key properties of methyl 4-amino-2,5-dimethylquinoline-3-carboxylate?
methyl 4-amino-2,5-dimethylquinoline-3-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2,5-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 18326317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).