5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one

C19H17Cl2N3O2S — CID 70098910

IUPAC5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one
SMILESCN1CCCC1c1cccnc1Sc1c(O)c2c(Cl)cc(Cl)cc2[nH]c1=O
InChIInChI=1S/C19H17Cl2N3O2S/c1-24-7-3-5-14(24)11-4-2-6-22-19(11)27-17-16(25)15-12(21)8-10(20)9-13(15)23-18(17)26/h2,4,6,8-9,14H,3,5,7H2,1H3,(H2,23,25,26)
InChIKeyOZWNERREEPDDRS-UHFFFAOYSA-N
MW422.34 g/mol
LogP4.85
Rot. Bonds3

About 5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one

5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one (PubChem CID 70098910) has the molecular formula C19H17Cl2N3O2S and a molecular weight of 422.34 g/mol. Its IUPAC name is 5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one
PubChem CID70098910
Molecular FormulaC19H17Cl2N3O2S
Molecular Weight422.34 g/mol
Exact Mass421.04
IUPAC Name5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one
SMILESCN1CCCC1c1cccnc1Sc1c(O)c2c(Cl)cc(Cl)cc2[nH]c1=O
InChIInChI=1S/C19H17Cl2N3O2S/c1-24-7-3-5-14(24)11-4-2-6-22-19(11)27-17-16(25)15-12(21)8-10(20)9-13(15)23-18(17)26/h2,4,6,8-9,14H,3,5,7H2,1H3,(H2,23,25,26)
InChIKeyOZWNERREEPDDRS-UHFFFAOYSA-N
XLogP4.85
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one?
The IUPAC name of 5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one (CID 70098910) is 5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one.
What is the SMILES notation for 5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one?
The canonical SMILES for 5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one is CN1CCCC1c1cccnc1Sc1c(O)c2c(Cl)cc(Cl)cc2[nH]c1=O.
What is the InChIKey of 5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one?
The InChIKey is OZWNERREEPDDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2S/c1-24-7-3-5-14(24)11-4-2-6-22-19(11)27-17-16(25)15-12(21)8-10(20)9-13(15)23-18(17)26/h2,4,6,8-9,14H,3,5,7H2,1H3,(H2,23,25,26).
What are the key properties of 5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one?
5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one has a molecular weight of 422.34 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one is sourced from PubChem (CID 70098910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).