9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one

C16H11ClN2OS — CID 15979817

IUPAC9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one
SMILESCc1c(-c2cccs2)[nH]c2ccc3[nH]c(=O)cc(Cl)c3c12
InChIInChI=1S/C16H11ClN2OS/c1-8-14-10(19-16(8)12-3-2-6-21-12)4-5-11-15(14)9(17)7-13(20)18-11/h2-7,19H,1H3,(H,18,20)
InChIKeyAJYNNHHGDKHUNV-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.70
Rot. Bonds1

About 9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one

9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one (PubChem CID 15979817) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is 9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one.

Molecular Properties

Compound Name9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one
PubChem CID15979817
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one
SMILESCc1c(-c2cccs2)[nH]c2ccc3[nH]c(=O)cc(Cl)c3c12
InChIInChI=1S/C16H11ClN2OS/c1-8-14-10(19-16(8)12-3-2-6-21-12)4-5-11-15(14)9(17)7-13(20)18-11/h2-7,19H,1H3,(H,18,20)
InChIKeyAJYNNHHGDKHUNV-UHFFFAOYSA-N
XLogP4.70
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one?
The IUPAC name of 9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one (CID 15979817) is 9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one.
What is the SMILES notation for 9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one?
The canonical SMILES for 9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one is Cc1c(-c2cccs2)[nH]c2ccc3[nH]c(=O)cc(Cl)c3c12.
What is the InChIKey of 9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one?
The InChIKey is AJYNNHHGDKHUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c1-8-14-10(19-16(8)12-3-2-6-21-12)4-5-11-15(14)9(17)7-13(20)18-11/h2-7,19H,1H3,(H,18,20).
What are the key properties of 9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one?
9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one has a molecular weight of 314.80 g/mol, XLogP of 4.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-1-methyl-2-thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-7-one is sourced from PubChem (CID 15979817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).