6-benzoylnaphtho[2,3-a]indolizine-7,12-dione

C23H13NO3 — CID 12067040

IUPAC6-benzoylnaphtho[2,3-a]indolizine-7,12-dione
SMILESO=C1c2ccccc2C(=O)c2c1c(C(=O)c1ccccc1)n1ccccc21
InChIInChI=1S/C23H13NO3/c25-21(14-8-2-1-3-9-14)20-19-18(17-12-6-7-13-24(17)20)22(26)15-10-4-5-11-16(15)23(19)27/h1-13H
InChIKeyOFAXKEZRZKVMFQ-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.95
Rot. Bonds2

About 6-benzoylnaphtho[2,3-a]indolizine-7,12-dione

6-benzoylnaphtho[2,3-a]indolizine-7,12-dione (PubChem CID 12067040) has the molecular formula C23H13NO3 and a molecular weight of 351.36 g/mol. Its IUPAC name is 6-benzoylnaphtho[2,3-a]indolizine-7,12-dione.

Molecular Properties

Compound Name6-benzoylnaphtho[2,3-a]indolizine-7,12-dione
PubChem CID12067040
Molecular FormulaC23H13NO3
Molecular Weight351.36 g/mol
Exact Mass351.09
IUPAC Name6-benzoylnaphtho[2,3-a]indolizine-7,12-dione
SMILESO=C1c2ccccc2C(=O)c2c1c(C(=O)c1ccccc1)n1ccccc21
InChIInChI=1S/C23H13NO3/c25-21(14-8-2-1-3-9-14)20-19-18(17-12-6-7-13-24(17)20)22(26)15-10-4-5-11-16(15)23(19)27/h1-13H
InChIKeyOFAXKEZRZKVMFQ-UHFFFAOYSA-N
XLogP3.95
TPSA55.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
CID 12067041
4-benzoyl-2-ethylpyrrolo[3,4-a]indolizine-1,3-dione
CID 71613072
11-benzoyl-12-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1,4,6,8,10,13,15,17,19-nonaen-3-one
CID 102155809
2-(3-benzoyl-2-phenylindolizin-1-yl)acetic acid
CID 10689548
1-[3-(4-phenylbenzoyl)-2-(4-phenylphenyl)indolizin-1-yl]pyridin-2-one
CID 175736213
ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
CID 101076102
methyl 1-benzoyl-2-phenylindolizine-3-carboxylate
CID 23251514
(3-benzoyl-2-methylindolizin-1-yl)-dimethylsulfanium
CID 3578883
3-benzoyl-1,2-dimethylbenzo[f]indole-4,9-dione
CID 10711417
cyclohexyl 3-benzoyl-2-phenylindolizine-1-carboxylate
CID 132941529
disodium;diphenylmethanone
CID 19380838
3-benzoylindolizine-1-carboxylic acid
CID 71356515

Frequently Asked Questions

What is the IUPAC name of 6-benzoylnaphtho[2,3-a]indolizine-7,12-dione?
The IUPAC name of 6-benzoylnaphtho[2,3-a]indolizine-7,12-dione (CID 12067040) is 6-benzoylnaphtho[2,3-a]indolizine-7,12-dione.
What is the SMILES notation for 6-benzoylnaphtho[2,3-a]indolizine-7,12-dione?
The canonical SMILES for 6-benzoylnaphtho[2,3-a]indolizine-7,12-dione is O=C1c2ccccc2C(=O)c2c1c(C(=O)c1ccccc1)n1ccccc21.
What is the InChIKey of 6-benzoylnaphtho[2,3-a]indolizine-7,12-dione?
The InChIKey is OFAXKEZRZKVMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13NO3/c25-21(14-8-2-1-3-9-14)20-19-18(17-12-6-7-13-24(17)20)22(26)15-10-4-5-11-16(15)23(19)27/h1-13H.
What are the key properties of 6-benzoylnaphtho[2,3-a]indolizine-7,12-dione?
6-benzoylnaphtho[2,3-a]indolizine-7,12-dione has a molecular weight of 351.36 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoylnaphtho[2,3-a]indolizine-7,12-dione is sourced from PubChem (CID 12067040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).