methyl 8-chloro-4-methoxyquinoline-2-carboxylate

C12H10ClNO3 — CID 53419812

IUPACmethyl 8-chloro-4-methoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC)c2cccc(Cl)c2n1
InChIInChI=1S/C12H10ClNO3/c1-16-10-6-9(12(15)17-2)14-11-7(10)4-3-5-8(11)13/h3-6H,1-2H3
InChIKeyIPQSVIHZMRBPNK-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.68
Rot. Bonds2

About methyl 8-chloro-4-methoxyquinoline-2-carboxylate

methyl 8-chloro-4-methoxyquinoline-2-carboxylate (PubChem CID 53419812) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is methyl 8-chloro-4-methoxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-chloro-4-methoxyquinoline-2-carboxylate
PubChem CID53419812
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Namemethyl 8-chloro-4-methoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC)c2cccc(Cl)c2n1
InChIInChI=1S/C12H10ClNO3/c1-16-10-6-9(12(15)17-2)14-11-7(10)4-3-5-8(11)13/h3-6H,1-2H3
InChIKeyIPQSVIHZMRBPNK-UHFFFAOYSA-N
XLogP2.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 8-chloro-4-methoxyquinoline-2-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

dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241
methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate
CID 53113369
methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate
CID 114250699
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864
methyl 8-bromo-4-chloroquinoline-2-carboxylate
CID 46739191
methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate
CID 134859415
methyl 4-chloro-8-ethoxyquinoline-2-carboxylate
CID 63376560
methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate
CID 10612292
methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate
CID 53113309
methyl 4-chloro-8-propylquinoline-2-carboxylate
CID 55183253
methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941932
methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941983

Frequently Asked Questions

What is the IUPAC name of methyl 8-chloro-4-methoxyquinoline-2-carboxylate?
The IUPAC name of methyl 8-chloro-4-methoxyquinoline-2-carboxylate (CID 53419812) is methyl 8-chloro-4-methoxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 8-chloro-4-methoxyquinoline-2-carboxylate?
The canonical SMILES for methyl 8-chloro-4-methoxyquinoline-2-carboxylate is COC(=O)c1cc(OC)c2cccc(Cl)c2n1.
What is the InChIKey of methyl 8-chloro-4-methoxyquinoline-2-carboxylate?
The InChIKey is IPQSVIHZMRBPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-16-10-6-9(12(15)17-2)14-11-7(10)4-3-5-8(11)13/h3-6H,1-2H3.
What are the key properties of methyl 8-chloro-4-methoxyquinoline-2-carboxylate?
methyl 8-chloro-4-methoxyquinoline-2-carboxylate has a molecular weight of 251.67 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-chloro-4-methoxyquinoline-2-carboxylate is sourced from PubChem (CID 53419812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).