ethyl 3-amino-8-methoxyquinoline-6-carboxylate

C13H14N2O3 — CID 156872720

IUPACethyl 3-amino-8-methoxyquinoline-6-carboxylate
SMILESCCOC(=O)c1cc(OC)c2ncc(N)cc2c1
InChIInChI=1S/C13H14N2O3/c1-3-18-13(16)9-4-8-5-10(14)7-15-12(8)11(6-9)17-2/h4-7H,3,14H2,1-2H3
InChIKeySQUUMEXSNDEBDD-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.00
Rot. Bonds3

About ethyl 3-amino-8-methoxyquinoline-6-carboxylate

ethyl 3-amino-8-methoxyquinoline-6-carboxylate (PubChem CID 156872720) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 3-amino-8-methoxyquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-8-methoxyquinoline-6-carboxylate
PubChem CID156872720
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethyl 3-amino-8-methoxyquinoline-6-carboxylate
SMILESCCOC(=O)c1cc(OC)c2ncc(N)cc2c1
InChIInChI=1S/C13H14N2O3/c1-3-18-13(16)9-4-8-5-10(14)7-15-12(8)11(6-9)17-2/h4-7H,3,14H2,1-2H3
InChIKeySQUUMEXSNDEBDD-UHFFFAOYSA-N
XLogP2.00
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate
CID 141232269
ethyl 8-ethoxyquinoline-3-carboxylate
CID 122362443
ethyl 8-cyclopropyloxy-3-ethenylquinoline-6-carboxylate
CID 156872799
ethyl 3-amino-4-bromo-5-methoxybenzoate
CID 171021080
ethyl 8-methoxy-1,5-naphthyridine-3-carboxylate
CID 59256763
methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate
CID 170992828
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
ethyl 6-fluoro-7-methoxyquinoline-3-carboxylate
CID 129247905
ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate
CID 90202516
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
CID 11402920

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-8-methoxyquinoline-6-carboxylate?
The IUPAC name of ethyl 3-amino-8-methoxyquinoline-6-carboxylate (CID 156872720) is ethyl 3-amino-8-methoxyquinoline-6-carboxylate.
What is the SMILES notation for ethyl 3-amino-8-methoxyquinoline-6-carboxylate?
The canonical SMILES for ethyl 3-amino-8-methoxyquinoline-6-carboxylate is CCOC(=O)c1cc(OC)c2ncc(N)cc2c1.
What is the InChIKey of ethyl 3-amino-8-methoxyquinoline-6-carboxylate?
The InChIKey is SQUUMEXSNDEBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-18-13(16)9-4-8-5-10(14)7-15-12(8)11(6-9)17-2/h4-7H,3,14H2,1-2H3.
What are the key properties of ethyl 3-amino-8-methoxyquinoline-6-carboxylate?
ethyl 3-amino-8-methoxyquinoline-6-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-8-methoxyquinoline-6-carboxylate is sourced from PubChem (CID 156872720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).