7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline

C23H15Cl2NS — CID 45112236

IUPAC7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline
SMILESClc1ccc(C2Cc3nc4ccc(Cl)cc4c(-c4ccccc4)c3S2)cc1
InChIInChI=1S/C23H15Cl2NS/c24-16-8-6-14(7-9-16)21-13-20-23(27-21)22(15-4-2-1-3-5-15)18-12-17(25)10-11-19(18)26-20/h1-12,21H,13H2
InChIKeyFFCCZEZLVJEAEL-UHFFFAOYSA-N
MW408.35 g/mol
LogP7.60
Rot. Bonds2

About 7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline

7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline (PubChem CID 45112236) has the molecular formula C23H15Cl2NS and a molecular weight of 408.35 g/mol. Its IUPAC name is 7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline.

Molecular Properties

Compound Name7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline
PubChem CID45112236
Molecular FormulaC23H15Cl2NS
Molecular Weight408.35 g/mol
Exact Mass407.03
IUPAC Name7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline
SMILESClc1ccc(C2Cc3nc4ccc(Cl)cc4c(-c4ccccc4)c3S2)cc1
InChIInChI=1S/C23H15Cl2NS/c24-16-8-6-14(7-9-16)21-13-20-23(27-21)22(15-4-2-1-3-5-15)18-12-17(25)10-11-19(18)26-20/h1-12,21H,13H2
InChIKeyFFCCZEZLVJEAEL-UHFFFAOYSA-N
XLogP7.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.35
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline with MolForge

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Related Compounds

7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline
CID 45112234
2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 2566475
7,18-dichloro-10,21-diphenyl-3,14-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,13,15(20),16,18-decaene
CID 154710038
(2Z)-7-chloro-2-[(4-chlorophenyl)methylidene]-9-phenyl-3,4-dihydroacridin-1-one
CID 177429085
(2Z)-2-benzylidene-7-chloro-9-phenyl-3,4-dihydroacridin-1-one
CID 177409114
6-chloro-2-ethyl-3-methyl-4-phenylquinoline
CID 71419956
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
6-chloro-2-methyl-4-phenyl-3-propylquinoline
CID 2439854
3-(3-amino-6-chloro-4-phenylquinolin-2-yl)pentan-3-ol
CID 132590343
(6-chloro-4-phenylquinolin-3-yl)methanol
CID 21463132
10-chloro-4-(4-chlorophenyl)-2-ethoxy-12-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline
CID 139200178
[5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3102931

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline?
The IUPAC name of 7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline (CID 45112236) is 7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline.
What is the SMILES notation for 7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline?
The canonical SMILES for 7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline is Clc1ccc(C2Cc3nc4ccc(Cl)cc4c(-c4ccccc4)c3S2)cc1.
What is the InChIKey of 7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline?
The InChIKey is FFCCZEZLVJEAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2NS/c24-16-8-6-14(7-9-16)21-13-20-23(27-21)22(15-4-2-1-3-5-15)18-12-17(25)10-11-19(18)26-20/h1-12,21H,13H2.
What are the key properties of 7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline?
7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline has a molecular weight of 408.35 g/mol, XLogP of 7.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-chlorophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline is sourced from PubChem (CID 45112236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).