ethyl 4-amino-7-chloroquinoline-3-carboxylate

C12H11ClN2O2 — CID 609428

IUPACethyl 4-amino-7-chloroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Cl)ccc2c1N
InChIInChI=1S/C12H11ClN2O2/c1-2-17-12(16)9-6-15-10-5-7(13)3-4-8(10)11(9)14/h3-6H,2H2,1H3,(H2,14,15)
InChIKeyGCUDZNYLJSRGCN-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.65
Rot. Bonds2

About ethyl 4-amino-7-chloroquinoline-3-carboxylate

ethyl 4-amino-7-chloroquinoline-3-carboxylate (PubChem CID 609428) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is ethyl 4-amino-7-chloroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-7-chloroquinoline-3-carboxylate
PubChem CID609428
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Nameethyl 4-amino-7-chloroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Cl)ccc2c1N
InChIInChI=1S/C12H11ClN2O2/c1-2-17-12(16)9-6-15-10-5-7(13)3-4-8(10)11(9)14/h3-6H,2H2,1H3,(H2,14,15)
InChIKeyGCUDZNYLJSRGCN-UHFFFAOYSA-N
XLogP2.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-amino-7-chloroquinoline-3-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 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate
CID 103996712
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate
CID 39851604
ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate
CID 102267989
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
CID 135735505
ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate
CID 169258410
ethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate
CID 139086657
ethyl 4-amino-6-propylquinoline-3-carboxylate
CID 55044912
ethyl 4-(4-aminoanilino)-6-chloroquinoline-3-carboxylate
CID 66715427
ethyl 4-amino-6-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]quinoline-3-carboxylate
CID 39851612
4-amino-7-ethoxyquinoline-3-carboxylic acid
CID 66487246

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-7-chloroquinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-7-chloroquinoline-3-carboxylate (CID 609428) is ethyl 4-amino-7-chloroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-7-chloroquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-7-chloroquinoline-3-carboxylate is CCOC(=O)c1cnc2cc(Cl)ccc2c1N.
What is the InChIKey of ethyl 4-amino-7-chloroquinoline-3-carboxylate?
The InChIKey is GCUDZNYLJSRGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-2-17-12(16)9-6-15-10-5-7(13)3-4-8(10)11(9)14/h3-6H,2H2,1H3,(H2,14,15).
What are the key properties of ethyl 4-amino-7-chloroquinoline-3-carboxylate?
ethyl 4-amino-7-chloroquinoline-3-carboxylate has a molecular weight of 250.69 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-7-chloroquinoline-3-carboxylate is sourced from PubChem (CID 609428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).