2,3-dihydro-1H-benzo[g]indole;naphthalene-1,4-dione

C22H17NO2 — CID 160614239

IUPAC2,3-dihydro-1H-benzo[g]indole;naphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2ccccc21.c1ccc2c3c(ccc2c1)CCN3
InChIInChI=1S/C12H11N.C10H6O2/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,13H,7-8H2;1-6H
InChIKeyRFWOPDDEYYUAQT-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.43
Rot. Bonds

About 2,3-dihydro-1H-benzo[g]indole;naphthalene-1,4-dione

2,3-dihydro-1H-benzo[g]indole;naphthalene-1,4-dione (PubChem CID 160614239) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2,3-dihydro-1H-benzo[g]indole;naphthalene-1,4-dione.

Molecular Properties

Compound Name2,3-dihydro-1H-benzo[g]indole;naphthalene-1,4-dione
PubChem CID160614239
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name2,3-dihydro-1H-benzo[g]indole;naphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2ccccc21.c1ccc2c3c(ccc2c1)CCN3
InChIInChI=1S/C12H11N.C10H6O2/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,13H,7-8H2;1-6H
InChIKeyRFWOPDDEYYUAQT-UHFFFAOYSA-N
XLogP4.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-benzo[g]indole;3,4-dihydro-1H-quinolin-2-one
CID 175227855
sodium naphthalene-1,4-dione
CID 18935707
gold;naphthalene-1,4-dione
CID 159229238
3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione
CID 11117738
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
2,3-dinaphthalen-1-ylcyclohexa-2,5-diene-1,4-dione
CID 22501380
hydrazine;naphthalene-1,4-dione
CID 67783218
ethane;naphthalene-1,4-dione
CID 54088717
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
isoindole-1,3-dione;naphthalene-1,4-dione
CID 70478975
1,2,3,5,6,7-hexahydro-3,5-benzodiazonin-4-one
CID 22722283
dichloromethane;3,4-dihydro-2H-isoquinolin-1-one;ethane
CID 91339125

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-benzo[g]indole;naphthalene-1,4-dione?
The IUPAC name of 2,3-dihydro-1H-benzo[g]indole;naphthalene-1,4-dione (CID 160614239) is 2,3-dihydro-1H-benzo[g]indole;naphthalene-1,4-dione.
What is the SMILES notation for 2,3-dihydro-1H-benzo[g]indole;naphthalene-1,4-dione?
The canonical SMILES for 2,3-dihydro-1H-benzo[g]indole;naphthalene-1,4-dione is O=C1C=CC(=O)c2ccccc21.c1ccc2c3c(ccc2c1)CCN3.
What is the InChIKey of 2,3-dihydro-1H-benzo[g]indole;naphthalene-1,4-dione?
The InChIKey is RFWOPDDEYYUAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C10H6O2/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,13H,7-8H2;1-6H.
What are the key properties of 2,3-dihydro-1H-benzo[g]indole;naphthalene-1,4-dione?
2,3-dihydro-1H-benzo[g]indole;naphthalene-1,4-dione has a molecular weight of 327.38 g/mol, XLogP of 4.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-benzo[g]indole;naphthalene-1,4-dione is sourced from PubChem (CID 160614239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).