1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one

C15H23N3O — CID 82157305

IUPAC1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
SMILESCc1cc2c(cc1C)N(CCN(C)C)C(=O)C(C)N2
InChIInChI=1S/C15H23N3O/c1-10-8-13-14(9-11(10)2)18(7-6-17(4)5)15(19)12(3)16-13/h8-9,12,16H,6-7H2,1-5H3
InChIKeyONOPTELRFIJBGU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.01
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one

1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one (PubChem CID 82157305) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
PubChem CID82157305
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
SMILESCc1cc2c(cc1C)N(CCN(C)C)C(=O)C(C)N2
InChIInChI=1S/C15H23N3O/c1-10-8-13-14(9-11(10)2)18(7-6-17(4)5)15(19)12(3)16-13/h8-9,12,16H,6-7H2,1-5H3
InChIKeyONOPTELRFIJBGU-UHFFFAOYSA-N
XLogP2.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157287
1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157281
3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82157291
2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid
CID 82157268
2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157309
5-[2-(dimethylamino)ethyl]-7-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157933
5-[2-(dimethylamino)ethyl]-7-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157951
3-(6,7-dimethoxy-3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157446
6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
CID 82157531
6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one
CID 82157533
3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one
CID 82157230
1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157206

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one (CID 82157305) is 1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one is Cc1cc2c(cc1C)N(CCN(C)C)C(=O)C(C)N2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is ONOPTELRFIJBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-8-13-14(9-11(10)2)18(7-6-17(4)5)15(19)12(3)16-13/h8-9,12,16H,6-7H2,1-5H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one?
1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).