(3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one

C15H12Cl2N2O — CID 132603334

IUPAC(3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESC[C@H]1C(=O)Nc2ccccc2N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H12Cl2N2O/c1-9-15(20)18-13-4-2-3-5-14(13)19(9)12-7-10(16)6-11(17)8-12/h2-9H,1H3,(H,18,20)/t9-/m0/s1
InChIKeyOPHJPQPKXBKBOH-VIFPVBQESA-N
MW307.18 g/mol
LogP4.47
Rot. Bonds1

About (3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one

(3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 132603334) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is (3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID132603334
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name(3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESC[C@H]1C(=O)Nc2ccccc2N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H12Cl2N2O/c1-9-15(20)18-13-4-2-3-5-14(13)19(9)12-7-10(16)6-11(17)8-12/h2-9H,1H3,(H,18,20)/t9-/m0/s1
InChIKeyOPHJPQPKXBKBOH-VIFPVBQESA-N
XLogP4.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of (3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one (CID 132603334) is (3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for (3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for (3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one is C[C@H]1C(=O)Nc2ccccc2N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is OPHJPQPKXBKBOH-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-9-15(20)18-13-4-2-3-5-14(13)19(9)12-7-10(16)6-11(17)8-12/h2-9H,1H3,(H,18,20)/t9-/m0/s1.
What are the key properties of (3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one?
(3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 307.18 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 132603334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).