(2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

C20H20F2N2OS — CID 55872247

IUPAC(2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cccnc1SC1CCCC1)N1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C20H20F2N2OS/c21-13-11-17(22)15-8-4-10-24(18(15)12-13)20(25)16-7-3-9-23-19(16)26-14-5-1-2-6-14/h3,7,9,11-12,14H,1-2,4-6,8,10H2
InChIKeyGFYWRAYATCPXIT-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.99
Rot. Bonds3

About (2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

(2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 55872247) has the molecular formula C20H20F2N2OS and a molecular weight of 374.46 g/mol. Its IUPAC name is (2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID55872247
Molecular FormulaC20H20F2N2OS
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name(2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cccnc1SC1CCCC1)N1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C20H20F2N2OS/c21-13-11-17(22)15-8-4-10-24(18(15)12-13)20(25)16-7-3-9-23-19(16)26-14-5-1-2-6-14/h3,7,9,11-12,14H,1-2,4-6,8,10H2
InChIKeyGFYWRAYATCPXIT-UHFFFAOYSA-N
XLogP4.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 55872247) is (2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1cccnc1SC1CCCC1)N1CCCc2c(F)cc(F)cc21.
What is the InChIKey of (2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is GFYWRAYATCPXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2OS/c21-13-11-17(22)15-8-4-10-24(18(15)12-13)20(25)16-7-3-9-23-19(16)26-14-5-1-2-6-14/h3,7,9,11-12,14H,1-2,4-6,8,10H2.
What are the key properties of (2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 374.46 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 55872247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).