4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline

C24H15N3O — CID 1320006

IUPAC4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline
SMILESNc1ccc(Oc2ccc3nc4c(nc3c2)-c2cccc3cccc-4c23)cc1
InChIInChI=1S/C24H15N3O/c25-15-7-9-16(10-8-15)28-17-11-12-20-21(13-17)27-24-19-6-2-4-14-3-1-5-18(22(14)19)23(24)26-20/h1-13H,25H2
InChIKeyZIEQBFHZBJZXCH-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.80
Rot. Bonds2

About 4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline

4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline (PubChem CID 1320006) has the molecular formula C24H15N3O and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline.

Molecular Properties

Compound Name4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline
PubChem CID1320006
Molecular FormulaC24H15N3O
Molecular Weight361.40 g/mol
Exact Mass361.12
IUPAC Name4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline
SMILESNc1ccc(Oc2ccc3nc4c(nc3c2)-c2cccc3cccc-4c23)cc1
InChIInChI=1S/C24H15N3O/c25-15-7-9-16(10-8-15)28-17-11-12-20-21(13-17)27-24-19-6-2-4-14-3-1-5-18(22(14)19)23(24)26-20/h1-13H,25H2
InChIKeyZIEQBFHZBJZXCH-UHFFFAOYSA-N
XLogP5.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene
CID 58122097
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline
CID 159278973
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
4-(7-iodophenanthro[9,10-b]quinoxalin-11-yl)oxyaniline
CID 3106827
acenaphthyleno[1,2-b]quinoxaline-9,10-dicarbonitrile
CID 627610
2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate
CID 1154611
4-(4-aminophenoxy)aniline
CID 161415647
4-[3-[4-[[4-[3-(4-aminophenoxy)phenoxy]phenyl]diazenyl]phenoxy]phenoxy]aniline
CID 23389994
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614

Frequently Asked Questions

What is the IUPAC name of 4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline?
The IUPAC name of 4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline (CID 1320006) is 4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline.
What is the SMILES notation for 4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline?
The canonical SMILES for 4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline is Nc1ccc(Oc2ccc3nc4c(nc3c2)-c2cccc3cccc-4c23)cc1.
What is the InChIKey of 4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline?
The InChIKey is ZIEQBFHZBJZXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O/c25-15-7-9-16(10-8-15)28-17-11-12-20-21(13-17)27-24-19-6-2-4-14-3-1-5-18(22(14)19)23(24)26-20/h1-13H,25H2.
What are the key properties of 4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline?
4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline has a molecular weight of 361.40 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acenaphthyleno[1,2-b]quinoxalin-9-yloxyaniline is sourced from PubChem (CID 1320006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).