1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol

C16H14N2O2 — CID 123973676

IUPAC1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol
SMILESOc1c2ccccc2c(O)c2c3c(ccc12)NCCN3
InChIInChI=1S/C16H14N2O2/c19-15-9-3-1-2-4-10(9)16(20)13-11(15)5-6-12-14(13)18-8-7-17-12/h1-6,17-20H,7-8H2
InChIKeyZAIRZONQTQZGSD-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.24
Rot. Bonds

About 1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol

1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol (PubChem CID 123973676) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol
PubChem CID123973676
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol
SMILESOc1c2ccccc2c(O)c2c3c(ccc12)NCCN3
InChIInChI=1S/C16H14N2O2/c19-15-9-3-1-2-4-10(9)16(20)13-11(15)5-6-12-14(13)18-8-7-17-12/h1-6,17-20H,7-8H2
InChIKeyZAIRZONQTQZGSD-UHFFFAOYSA-N
XLogP3.24
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 102322081
anthra[1,2-c]diazete-5,10-diol
CID 136503832
anthracene-1,5,9,10-tetrol
CID 71371518
molecular hydrogen;1,2,3,4-tetrahydroquinoxaline
CID 143824741
9,10-dihydroxyanthracene-1-diazonium
CID 90949542
tetracyclo[6.6.2.02,7.09,14]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-15,16-diol
CID 123414874
pyrene-4,5,9,10-tetrol
CID 144772301
(2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 57287537
11-methoxy-12-nitro-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-8-ol
CID 163167482
11,16-diazapentacyclo[15.6.2.23,10.04,9.018,23]heptacosa-1(24),3(27),4,6,8,10(26),17(25),18,20,22-decaene
CID 101157352
spiro[naphtho[3,2-e]benzimidazole-2,3'-oxolane]-6,11-diol
CID 136510379

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol?
The IUPAC name of 1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol (CID 123973676) is 1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol.
What is the SMILES notation for 1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol?
The canonical SMILES for 1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol is Oc1c2ccccc2c(O)c2c3c(ccc12)NCCN3.
What is the InChIKey of 1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol?
The InChIKey is ZAIRZONQTQZGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15-9-3-1-2-4-10(9)16(20)13-11(15)5-6-12-14(13)18-8-7-17-12/h1-6,17-20H,7-8H2.
What are the key properties of 1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol?
1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol has a molecular weight of 266.30 g/mol, XLogP of 3.24, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphtho[3,2-f]quinoxaline-7,12-diol is sourced from PubChem (CID 123973676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).