methyl 4-chlorothieno[3,4-c]quinoline-6-carboxylate

C13H8ClNO2S — CID 58189539

IUPACmethyl 4-chlorothieno[3,4-c]quinoline-6-carboxylate
SMILESCOC(=O)c1cccc2c1nc(Cl)c1cscc12
InChIInChI=1S/C13H8ClNO2S/c1-17-13(16)8-4-2-3-7-9-5-18-6-10(9)12(14)15-11(7)8/h2-6H,1H3
InChIKeyDAGDFWDKTCKDPF-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.89
Rot. Bonds1

About methyl 4-chlorothieno[3,4-c]quinoline-6-carboxylate

methyl 4-chlorothieno[3,4-c]quinoline-6-carboxylate (PubChem CID 58189539) has the molecular formula C13H8ClNO2S and a molecular weight of 277.73 g/mol. Its IUPAC name is methyl 4-chlorothieno[3,4-c]quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-chlorothieno[3,4-c]quinoline-6-carboxylate
PubChem CID58189539
Molecular FormulaC13H8ClNO2S
Molecular Weight277.73 g/mol
Exact Mass277.00
IUPAC Namemethyl 4-chlorothieno[3,4-c]quinoline-6-carboxylate
SMILESCOC(=O)c1cccc2c1nc(Cl)c1cscc12
InChIInChI=1S/C13H8ClNO2S/c1-17-13(16)8-4-2-3-7-9-5-18-6-10(9)12(14)15-11(7)8/h2-6H,1H3
InChIKeyDAGDFWDKTCKDPF-UHFFFAOYSA-N
XLogP3.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 4-chlorothieno[3,4-c]quinoline-6-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

methyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate
CID 58189520
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
dimethyl thiophene-3,4-dicarboxylate
CID 58401193
dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241
methyl 6-carbamoyl-11-oxopyrido[2,1-b]quinazoline-4-carboxylate
CID 146442513
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 2-chloro-8-(trifluoromethyl)quinoline-3-carboxylate
CID 117246678
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
methyl cinnoline-8-carboxylate
CID 133080920
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid
CID 11782518
methyl 2-chloro-3,8-difluoro-4-methoxyquinoline-7-carboxylate
CID 169130704

Frequently Asked Questions

What is the IUPAC name of methyl 4-chlorothieno[3,4-c]quinoline-6-carboxylate?
The IUPAC name of methyl 4-chlorothieno[3,4-c]quinoline-6-carboxylate (CID 58189539) is methyl 4-chlorothieno[3,4-c]quinoline-6-carboxylate.
What is the SMILES notation for methyl 4-chlorothieno[3,4-c]quinoline-6-carboxylate?
The canonical SMILES for methyl 4-chlorothieno[3,4-c]quinoline-6-carboxylate is COC(=O)c1cccc2c1nc(Cl)c1cscc12.
What is the InChIKey of methyl 4-chlorothieno[3,4-c]quinoline-6-carboxylate?
The InChIKey is DAGDFWDKTCKDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO2S/c1-17-13(16)8-4-2-3-7-9-5-18-6-10(9)12(14)15-11(7)8/h2-6H,1H3.
What are the key properties of methyl 4-chlorothieno[3,4-c]quinoline-6-carboxylate?
methyl 4-chlorothieno[3,4-c]quinoline-6-carboxylate has a molecular weight of 277.73 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chlorothieno[3,4-c]quinoline-6-carboxylate is sourced from PubChem (CID 58189539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).