7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline

C23H16ClNS — CID 45112234

IUPAC7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline
SMILESClc1ccc2nc3c(c(-c4ccccc4)c2c1)SC(c1ccccc1)C3
InChIInChI=1S/C23H16ClNS/c24-17-11-12-19-18(13-17)22(16-9-5-2-6-10-16)23-20(25-19)14-21(26-23)15-7-3-1-4-8-15/h1-13,21H,14H2
InChIKeySEYHIRBNGQJPSW-UHFFFAOYSA-N
MW373.91 g/mol
LogP6.94
Rot. Bonds2

About 7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline

7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline (PubChem CID 45112234) has the molecular formula C23H16ClNS and a molecular weight of 373.91 g/mol. Its IUPAC name is 7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline.

Molecular Properties

Compound Name7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline
PubChem CID45112234
Molecular FormulaC23H16ClNS
Molecular Weight373.91 g/mol
Exact Mass373.07
IUPAC Name7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline
SMILESClc1ccc2nc3c(c(-c4ccccc4)c2c1)SC(c1ccccc1)C3
InChIInChI=1S/C23H16ClNS/c24-17-11-12-19-18(13-17)22(16-9-5-2-6-10-16)23-20(25-19)14-21(26-23)15-7-3-1-4-8-15/h1-13,21H,14H2
InChIKeySEYHIRBNGQJPSW-UHFFFAOYSA-N
XLogP6.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.91
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline?
The IUPAC name of 7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline (CID 45112234) is 7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline.
What is the SMILES notation for 7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline?
The canonical SMILES for 7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline is Clc1ccc2nc3c(c(-c4ccccc4)c2c1)SC(c1ccccc1)C3.
What is the InChIKey of 7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline?
The InChIKey is SEYHIRBNGQJPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNS/c24-17-11-12-19-18(13-17)22(16-9-5-2-6-10-16)23-20(25-19)14-21(26-23)15-7-3-1-4-8-15/h1-13,21H,14H2.
What are the key properties of 7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline?
7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline has a molecular weight of 373.91 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline is sourced from PubChem (CID 45112234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).