8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one

C23H30N4O — CID 70692631

IUPAC8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one
SMILESCCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)c(=O)[nH]c12
InChIInChI=1S/C23H30N4O/c1-6-11-27(12-7-2)19-10-8-9-18-21(19)26-23(28)22(24-18)25-20-16(4)13-15(3)14-17(20)5/h8-10,13-14H,6-7,11-12H2,1-5H3,(H,24,25)(H,26,28)
InChIKeyXKVULWVDEDTPQX-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.22
Rot. Bonds7

About 8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one

8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one (PubChem CID 70692631) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one
PubChem CID70692631
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one
SMILESCCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)c(=O)[nH]c12
InChIInChI=1S/C23H30N4O/c1-6-11-27(12-7-2)19-10-8-9-18-21(19)26-23(28)22(24-18)25-20-16(4)13-15(3)14-17(20)5/h8-10,13-14H,6-7,11-12H2,1-5H3,(H,24,25)(H,26,28)
InChIKeyXKVULWVDEDTPQX-UHFFFAOYSA-N
XLogP5.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one?
The IUPAC name of 8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one (CID 70692631) is 8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one.
What is the SMILES notation for 8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one?
The canonical SMILES for 8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one is CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)c(=O)[nH]c12.
What is the InChIKey of 8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one?
The InChIKey is XKVULWVDEDTPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-6-11-27(12-7-2)19-10-8-9-18-21(19)26-23(28)22(24-18)25-20-16(4)13-15(3)14-17(20)5/h8-10,13-14H,6-7,11-12H2,1-5H3,(H,24,25)(H,26,28).
What are the key properties of 8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one?
8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one has a molecular weight of 378.52 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dipropylamino)-3-(2,4,6-trimethylanilino)-1H-quinoxalin-2-one is sourced from PubChem (CID 70692631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).