1-[(2-chlorophenyl)methyl]-7-methylsulfanyl-3-(morpholin-4-ylmethyl)quinolin-2-one

C22H23ClN2O2S — CID 26274294

IUPAC1-[(2-chlorophenyl)methyl]-7-methylsulfanyl-3-(morpholin-4-ylmethyl)quinolin-2-one
SMILESCSc1ccc2cc(CN3CCOCC3)c(=O)n(Cc3ccccc3Cl)c2c1
InChIInChI=1S/C22H23ClN2O2S/c1-28-19-7-6-16-12-18(14-24-8-10-27-11-9-24)22(26)25(21(16)13-19)15-17-4-2-3-5-20(17)23/h2-7,12-13H,8-11,14-15H2,1H3
InChIKeyLALPMBPERHEIRS-UHFFFAOYSA-N
MW414.96 g/mol
LogP4.26
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-7-methylsulfanyl-3-(morpholin-4-ylmethyl)quinolin-2-one

1-[(2-chlorophenyl)methyl]-7-methylsulfanyl-3-(morpholin-4-ylmethyl)quinolin-2-one (PubChem CID 26274294) has the molecular formula C22H23ClN2O2S and a molecular weight of 414.96 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-7-methylsulfanyl-3-(morpholin-4-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-7-methylsulfanyl-3-(morpholin-4-ylmethyl)quinolin-2-one
PubChem CID26274294
Molecular FormulaC22H23ClN2O2S
Molecular Weight414.96 g/mol
Exact Mass414.12
IUPAC Name1-[(2-chlorophenyl)methyl]-7-methylsulfanyl-3-(morpholin-4-ylmethyl)quinolin-2-one
SMILESCSc1ccc2cc(CN3CCOCC3)c(=O)n(Cc3ccccc3Cl)c2c1
InChIInChI=1S/C22H23ClN2O2S/c1-28-19-7-6-16-12-18(14-24-8-10-27-11-9-24)22(26)25(21(16)13-19)15-17-4-2-3-5-20(17)23/h2-7,12-13H,8-11,14-15H2,1H3
InChIKeyLALPMBPERHEIRS-UHFFFAOYSA-N
XLogP4.26
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-7-methylsulfanyl-3-(morpholin-4-ylmethyl)quinolin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-7-methylsulfanyl-3-(morpholin-4-ylmethyl)quinolin-2-one (CID 26274294) is 1-[(2-chlorophenyl)methyl]-7-methylsulfanyl-3-(morpholin-4-ylmethyl)quinolin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-7-methylsulfanyl-3-(morpholin-4-ylmethyl)quinolin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-7-methylsulfanyl-3-(morpholin-4-ylmethyl)quinolin-2-one is CSc1ccc2cc(CN3CCOCC3)c(=O)n(Cc3ccccc3Cl)c2c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-7-methylsulfanyl-3-(morpholin-4-ylmethyl)quinolin-2-one?
The InChIKey is LALPMBPERHEIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2S/c1-28-19-7-6-16-12-18(14-24-8-10-27-11-9-24)22(26)25(21(16)13-19)15-17-4-2-3-5-20(17)23/h2-7,12-13H,8-11,14-15H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-7-methylsulfanyl-3-(morpholin-4-ylmethyl)quinolin-2-one?
1-[(2-chlorophenyl)methyl]-7-methylsulfanyl-3-(morpholin-4-ylmethyl)quinolin-2-one has a molecular weight of 414.96 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-7-methylsulfanyl-3-(morpholin-4-ylmethyl)quinolin-2-one is sourced from PubChem (CID 26274294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).