ethyl 4-ethoxyquinoline-7-carboxylate

C14H15NO3 — CID 91667888

IUPACethyl 4-ethoxyquinoline-7-carboxylate
SMILESCCOC(=O)c1ccc2c(OCC)ccnc2c1
InChIInChI=1S/C14H15NO3/c1-3-17-13-7-8-15-12-9-10(5-6-11(12)13)14(16)18-4-2/h5-9H,3-4H2,1-2H3
InChIKeyVEIBFPAMWJLWEV-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.81
Rot. Bonds4

About ethyl 4-ethoxyquinoline-7-carboxylate

ethyl 4-ethoxyquinoline-7-carboxylate (PubChem CID 91667888) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 4-ethoxyquinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethoxyquinoline-7-carboxylate
PubChem CID91667888
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 4-ethoxyquinoline-7-carboxylate
SMILESCCOC(=O)c1ccc2c(OCC)ccnc2c1
InChIInChI=1S/C14H15NO3/c1-3-17-13-7-8-15-12-9-10(5-6-11(12)13)14(16)18-4-2/h5-9H,3-4H2,1-2H3
InChIKeyVEIBFPAMWJLWEV-UHFFFAOYSA-N
XLogP2.81
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-ethoxyquinoline-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 8-methoxy-1,5-naphthyridine-3-carboxylate
CID 59256763
ethyl 4-chloroquinazoline-7-carboxylate
CID 71743581
ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 166059456
ethyl 3-chloro-2H-indazole-6-carboxylate
CID 131699852
ethyl 3-ethoxy-4-(2-oxopropyl)benzoate
CID 134642967
ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate
CID 167643901
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate
CID 43839933
ethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate
CID 50877377
ethyl 2-(fluoromethyl)pyridine-4-carboxylate
CID 75530092
ethyl 3-(dimethylcarbamoyl)-4-ethoxybenzoate
CID 68872362

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethoxyquinoline-7-carboxylate?
The IUPAC name of ethyl 4-ethoxyquinoline-7-carboxylate (CID 91667888) is ethyl 4-ethoxyquinoline-7-carboxylate.
What is the SMILES notation for ethyl 4-ethoxyquinoline-7-carboxylate?
The canonical SMILES for ethyl 4-ethoxyquinoline-7-carboxylate is CCOC(=O)c1ccc2c(OCC)ccnc2c1.
What is the InChIKey of ethyl 4-ethoxyquinoline-7-carboxylate?
The InChIKey is VEIBFPAMWJLWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-17-13-7-8-15-12-9-10(5-6-11(12)13)14(16)18-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 4-ethoxyquinoline-7-carboxylate?
ethyl 4-ethoxyquinoline-7-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethoxyquinoline-7-carboxylate is sourced from PubChem (CID 91667888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).