(3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one

C17H17ClN2O3S — CID 178034373

IUPAC(3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one
SMILESCS(=O)(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)[C@H](N)C2
InChIInChI=1S/C17H17ClN2O3S/c1-24(22,23)14-6-5-12-8-15(19)17(21)20(16(12)9-14)10-11-3-2-4-13(18)7-11/h2-7,9,15H,8,10,19H2,1H3/t15-/m1/s1
InChIKeyOVCAWGCJSZQKTP-OAHLLOKOSA-N
MW364.85 g/mol
LogP2.16
Rot. Bonds3

About (3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one

(3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one (PubChem CID 178034373) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is (3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one
PubChem CID178034373
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name(3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one
SMILESCS(=O)(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)[C@H](N)C2
InChIInChI=1S/C17H17ClN2O3S/c1-24(22,23)14-6-5-12-8-15(19)17(21)20(16(12)9-14)10-11-3-2-4-13(18)7-11/h2-7,9,15H,8,10,19H2,1H3/t15-/m1/s1
InChIKeyOVCAWGCJSZQKTP-OAHLLOKOSA-N
XLogP2.16
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one?
The IUPAC name of (3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one (CID 178034373) is (3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one is CS(=O)(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)[C@H](N)C2.
What is the InChIKey of (3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one?
The InChIKey is OVCAWGCJSZQKTP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-24(22,23)14-6-5-12-8-15(19)17(21)20(16(12)9-14)10-11-3-2-4-13(18)7-11/h2-7,9,15H,8,10,19H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one?
(3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one has a molecular weight of 364.85 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[(3-chlorophenyl)methyl]-7-methylsulfonyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 178034373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).