6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one

C14H18Cl2N2O — CID 82157709

IUPAC6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one
SMILESCC(C)C1Nc2cc(Cl)c(Cl)cc2N(C(C)C)C1=O
InChIInChI=1S/C14H18Cl2N2O/c1-7(2)13-14(19)18(8(3)4)12-6-10(16)9(15)5-11(12)17-13/h5-8,13,17H,1-4H3
InChIKeyZVCTVEGOMYSUJP-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.18
Rot. Bonds2

About 6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one

6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one (PubChem CID 82157709) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one
PubChem CID82157709
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one
SMILESCC(C)C1Nc2cc(Cl)c(Cl)cc2N(C(C)C)C1=O
InChIInChI=1S/C14H18Cl2N2O/c1-7(2)13-14(19)18(8(3)4)12-6-10(16)9(15)5-11(12)17-13/h5-8,13,17H,1-4H3
InChIKeyZVCTVEGOMYSUJP-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6,7-dichloro-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)acetonitrile
CID 82157708
2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157200
6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84629259
6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 82157685
1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84622977
6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 155027483
6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
CID 82157674
5-methyl-7-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157944
2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157156
6-ethyl-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84627150
1-(3,4-dichlorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961924
8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84644433

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one (CID 82157709) is 6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one is CC(C)C1Nc2cc(Cl)c(Cl)cc2N(C(C)C)C1=O.
What is the InChIKey of 6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one?
The InChIKey is ZVCTVEGOMYSUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-7(2)13-14(19)18(8(3)4)12-6-10(16)9(15)5-11(12)17-13/h5-8,13,17H,1-4H3.
What are the key properties of 6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one?
6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one has a molecular weight of 301.22 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).