4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine

C16H20N2O2S — CID 50984717

IUPAC4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine
SMILESCc1cc(NCCS(C)(=O)=O)nc2cc3c(cc12)CCC3
InChIInChI=1S/C16H20N2O2S/c1-11-8-16(17-6-7-21(2,19)20)18-15-10-13-5-3-4-12(13)9-14(11)15/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyHFCSPNJAXHYVDE-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.49
Rot. Bonds4

About 4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine

4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine (PubChem CID 50984717) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine
PubChem CID50984717
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine
SMILESCc1cc(NCCS(C)(=O)=O)nc2cc3c(cc12)CCC3
InChIInChI=1S/C16H20N2O2S/c1-11-8-16(17-6-7-21(2,19)20)18-15-10-13-5-3-4-12(13)9-14(11)15/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyHFCSPNJAXHYVDE-UHFFFAOYSA-N
XLogP2.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine?
The IUPAC name of 4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine (CID 50984717) is 4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine?
The canonical SMILES for 4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine is Cc1cc(NCCS(C)(=O)=O)nc2cc3c(cc12)CCC3.
What is the InChIKey of 4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine?
The InChIKey is HFCSPNJAXHYVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-8-16(17-6-7-21(2,19)20)18-15-10-13-5-3-4-12(13)9-14(11)15/h8-10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine?
4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine has a molecular weight of 304.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine is sourced from PubChem (CID 50984717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).