methyl 4-amino-8-ethoxyquinoline-3-carboxylate

C13H14N2O3 — CID 102614789

IUPACmethyl 4-amino-8-ethoxyquinoline-3-carboxylate
SMILESCCOc1cccc2c(N)c(C(=O)OC)cnc12
InChIInChI=1S/C13H14N2O3/c1-3-18-10-6-4-5-8-11(14)9(13(16)17-2)7-15-12(8)10/h4-7H,3H2,1-2H3,(H2,14,15)
InChIKeySLNTWIBININIEP-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.00
Rot. Bonds3

About methyl 4-amino-8-ethoxyquinoline-3-carboxylate

methyl 4-amino-8-ethoxyquinoline-3-carboxylate (PubChem CID 102614789) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 4-amino-8-ethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-8-ethoxyquinoline-3-carboxylate
PubChem CID102614789
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 4-amino-8-ethoxyquinoline-3-carboxylate
SMILESCCOc1cccc2c(N)c(C(=O)OC)cnc12
InChIInChI=1S/C13H14N2O3/c1-3-18-10-6-4-5-8-11(14)9(13(16)17-2)7-15-12(8)10/h4-7H,3H2,1-2H3,(H2,14,15)
InChIKeySLNTWIBININIEP-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

methyl 4-amino-8-propoxyquinoline-3-carboxylate
CID 102614773
ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate
CID 62188335
methyl 3-ethoxy-2-methoxybenzoate
CID 82161720
methyl 6-amino-4-ethoxypyridine-3-carboxylate
CID 155437022
methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate
CID 102614869
methyl 4-bromo-8-(difluoromethoxy)quinoline-3-carboxylate
CID 102614445
4-amino-8-ethylquinoline-3-carbohydrazide
CID 54772803
ethyl 4-amino-8-pent-3-ynylquinoline-3-carboxylate
CID 19864271
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
methyl 2-chloro-3-ethoxybenzoate
CID 153384236
methyl 4-chloro-8-ethylquinoline-3-carboxylate
CID 102614374
3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate
CID 53269421

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-8-ethoxyquinoline-3-carboxylate?
The IUPAC name of methyl 4-amino-8-ethoxyquinoline-3-carboxylate (CID 102614789) is methyl 4-amino-8-ethoxyquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-amino-8-ethoxyquinoline-3-carboxylate?
The canonical SMILES for methyl 4-amino-8-ethoxyquinoline-3-carboxylate is CCOc1cccc2c(N)c(C(=O)OC)cnc12.
What is the InChIKey of methyl 4-amino-8-ethoxyquinoline-3-carboxylate?
The InChIKey is SLNTWIBININIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-18-10-6-4-5-8-11(14)9(13(16)17-2)7-15-12(8)10/h4-7H,3H2,1-2H3,(H2,14,15).
What are the key properties of methyl 4-amino-8-ethoxyquinoline-3-carboxylate?
methyl 4-amino-8-ethoxyquinoline-3-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 methyl 4-amino-8-ethoxyquinoline-3-carboxylate is sourced from PubChem (CID 102614789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).