naphtho[1,2-h]quinoline-11,12-dione

C17H9NO2 — CID 126542594

IUPACnaphtho[1,2-h]quinoline-11,12-dione
SMILESO=C1C(=O)c2c(ccc3ccccc23)-c2ncccc21
InChIInChI=1S/C17H9NO2/c19-16-13-6-3-9-18-15(13)12-8-7-10-4-1-2-5-11(10)14(12)17(16)20/h1-9H
InChIKeyWAYAQERYHPQJPM-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.28
Rot. Bonds

About naphtho[1,2-h]quinoline-11,12-dione

naphtho[1,2-h]quinoline-11,12-dione (PubChem CID 126542594) has the molecular formula C17H9NO2 and a molecular weight of 259.26 g/mol. Its IUPAC name is naphtho[1,2-h]quinoline-11,12-dione.

Molecular Properties

Compound Namenaphtho[1,2-h]quinoline-11,12-dione
PubChem CID126542594
Molecular FormulaC17H9NO2
Molecular Weight259.26 g/mol
Exact Mass259.06
IUPAC Namenaphtho[1,2-h]quinoline-11,12-dione
SMILESO=C1C(=O)c2c(ccc3ccccc23)-c2ncccc21
InChIInChI=1S/C17H9NO2/c19-16-13-6-3-9-18-15(13)12-8-7-10-4-1-2-5-11(10)14(12)17(16)20/h1-9H
InChIKeyWAYAQERYHPQJPM-UHFFFAOYSA-N
XLogP3.28
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

phenanthro[9,10-g]quinoline-9,14-dione
CID 71437214
7-methylbenzo[b][1,10]phenanthroline-5,6-dione
CID 176653841
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
benzo[c]fluoren-7-one
CID 22413
2-(dimethylamino)naphtho[2,1-g]quinoline-7,12-dione
CID 23239458
1-phenylbenzo[c]phenanthrene-5,6-dione
CID 10892989
4,7-phenanthroline-5,6-dione
CID 6764
9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
CID 53473843
12-methylquinolino[7,6-a]carbazole-5,13-dione
CID 46193683
5-(5-oxochrysen-6-ylidene)-1,3-diazinane-2,4,6-trione
CID 68897410
2,3-dimethoxyphenanthrene-1,4-dione
CID 14003225
2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine
CID 87436583

Frequently Asked Questions

What is the IUPAC name of naphtho[1,2-h]quinoline-11,12-dione?
The IUPAC name of naphtho[1,2-h]quinoline-11,12-dione (CID 126542594) is naphtho[1,2-h]quinoline-11,12-dione.
What is the SMILES notation for naphtho[1,2-h]quinoline-11,12-dione?
The canonical SMILES for naphtho[1,2-h]quinoline-11,12-dione is O=C1C(=O)c2c(ccc3ccccc23)-c2ncccc21.
What is the InChIKey of naphtho[1,2-h]quinoline-11,12-dione?
The InChIKey is WAYAQERYHPQJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9NO2/c19-16-13-6-3-9-18-15(13)12-8-7-10-4-1-2-5-11(10)14(12)17(16)20/h1-9H.
What are the key properties of naphtho[1,2-h]quinoline-11,12-dione?
naphtho[1,2-h]quinoline-11,12-dione has a molecular weight of 259.26 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[1,2-h]quinoline-11,12-dione is sourced from PubChem (CID 126542594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).