ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate

C14H16N2O4 — CID 46397829

IUPACethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)ccc(OC)c2c1N
InChIInChI=1S/C14H16N2O4/c1-4-20-14(17)8-7-16-13-10(19-3)6-5-9(18-2)11(13)12(8)15/h5-7H,4H2,1-3H3,(H2,15,16)
InChIKeyREYLKIAWTMBNLC-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.01
Rot. Bonds4

About ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate

ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate (PubChem CID 46397829) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate
PubChem CID46397829
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)ccc(OC)c2c1N
InChIInChI=1S/C14H16N2O4/c1-4-20-14(17)8-7-16-13-10(19-3)6-5-9(18-2)11(13)12(8)15/h5-7H,4H2,1-3H3,(H2,15,16)
InChIKeyREYLKIAWTMBNLC-UHFFFAOYSA-N
XLogP2.01
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-anilino-5,8-dimethoxyquinoline-3-carboxylate
CID 13038487
ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 62191865
ethyl 5,8-dimethoxy-4-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]quinoline-3-carboxylate
CID 56585024
ethyl 8-methoxy-5-methyl-4-[(3-methylthiophen-2-yl)amino]quinoline-3-carboxylate phosphate
CID 20529032
ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate
CID 103587307
ethyl 2-amino-3-fluoro-4-methoxybenzoate
CID 54595933
ethyl 3-amino-2-chloro-4-methoxybenzoate
CID 166071385
ethyl 2-amino-3-methoxy-5-methylbenzoate
CID 54595934
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate
CID 134682660
ethyl 8-methoxy-6-methyl-4-(methylamino)quinoline-3-carboxylate
CID 54773049

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate (CID 46397829) is ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)ccc(OC)c2c1N.
What is the InChIKey of ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate?
The InChIKey is REYLKIAWTMBNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-4-20-14(17)8-7-16-13-10(19-3)6-5-9(18-2)11(13)12(8)15/h5-7H,4H2,1-3H3,(H2,15,16).
What are the key properties of ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate?
ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate is sourced from PubChem (CID 46397829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).