6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one

C12H14Cl2N2O3 — CID 82157674

IUPAC6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
SMILESCC1Nc2cc(Cl)c(Cl)cc2N(CC(O)CO)C1=O
InChIInChI=1S/C12H14Cl2N2O3/c1-6-12(19)16(4-7(18)5-17)11-3-9(14)8(13)2-10(11)15-6/h2-3,6-7,15,17-18H,4-5H2,1H3
InChIKeyNAAHESATVCBXBJ-UHFFFAOYSA-N
MW305.16 g/mol
LogP1.49
Rot. Bonds3

About 6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one

6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one (PubChem CID 82157674) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
PubChem CID82157674
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
SMILESCC1Nc2cc(Cl)c(Cl)cc2N(CC(O)CO)C1=O
InChIInChI=1S/C12H14Cl2N2O3/c1-6-12(19)16(4-7(18)5-17)11-3-9(14)8(13)2-10(11)15-6/h2-3,6-7,15,17-18H,4-5H2,1H3
InChIKeyNAAHESATVCBXBJ-UHFFFAOYSA-N
XLogP1.49
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one
CID 82157579
3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82157291
6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
CID 82157531
2-(6,7-dichloro-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)acetonitrile
CID 82157708
1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157287
2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid
CID 82157268
3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82156979
6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one
CID 82157709
1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157281
4-(2,3-dihydroxypropyl)-6-(hydroxymethyl)-2-methyl-1,4-benzoxazin-3-one
CID 82338290
1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157305
6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one
CID 82157688

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one (CID 82157674) is 6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one is CC1Nc2cc(Cl)c(Cl)cc2N(CC(O)CO)C1=O.
What is the InChIKey of 6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is NAAHESATVCBXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-6-12(19)16(4-7(18)5-17)11-3-9(14)8(13)2-10(11)15-6/h2-3,6-7,15,17-18H,4-5H2,1H3.
What are the key properties of 6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one?
6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 305.16 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).