9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one

C19H14ClF3N2OS — CID 143378766

IUPAC9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one
SMILESCc1c(-c2cccs2)n(CCC(F)(F)F)c2ccc3[nH]c(=O)cc(Cl)c3c12
InChIInChI=1S/C19H14ClF3N2OS/c1-10-16-13(5-4-12-17(16)11(20)9-15(26)24-12)25(7-6-19(21,22)23)18(10)14-3-2-8-27-14/h2-5,8-9H,6-7H2,1H3,(H,24,26)
InChIKeyIHZJQRMXNKSLDB-UHFFFAOYSA-N
MW410.85 g/mol
LogP6.13
Rot. Bonds3

About 9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one

9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one (PubChem CID 143378766) has the molecular formula C19H14ClF3N2OS and a molecular weight of 410.85 g/mol. Its IUPAC name is 9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one.

Molecular Properties

Compound Name9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one
PubChem CID143378766
Molecular FormulaC19H14ClF3N2OS
Molecular Weight410.85 g/mol
Exact Mass410.05
IUPAC Name9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one
SMILESCc1c(-c2cccs2)n(CCC(F)(F)F)c2ccc3[nH]c(=O)cc(Cl)c3c12
InChIInChI=1S/C19H14ClF3N2OS/c1-10-16-13(5-4-12-17(16)11(20)9-15(26)24-12)25(7-6-19(21,22)23)18(10)14-3-2-8-27-14/h2-5,8-9H,6-7H2,1H3,(H,24,26)
InChIKeyIHZJQRMXNKSLDB-UHFFFAOYSA-N
XLogP6.13
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.85
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one?
The IUPAC name of 9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one (CID 143378766) is 9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one.
What is the SMILES notation for 9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one?
The canonical SMILES for 9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one is Cc1c(-c2cccs2)n(CCC(F)(F)F)c2ccc3[nH]c(=O)cc(Cl)c3c12.
What is the InChIKey of 9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one?
The InChIKey is IHZJQRMXNKSLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2OS/c1-10-16-13(5-4-12-17(16)11(20)9-15(26)24-12)25(7-6-19(21,22)23)18(10)14-3-2-8-27-14/h2-5,8-9H,6-7H2,1H3,(H,24,26).
What are the key properties of 9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one?
9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one has a molecular weight of 410.85 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-1-methyl-2-thiophen-2-yl-3-(3,3,3-trifluoropropyl)-6H-pyrrolo[3,2-f]quinolin-7-one is sourced from PubChem (CID 143378766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).