2-benzoylphenaleno[2,3-b]pyridin-7-one

C23H13NO2 — CID 154370739

IUPAC2-benzoylphenaleno[2,3-b]pyridin-7-one
SMILESO=C(c1ccccc1)c1cc2c3c(cccc3c1)C(=O)c1ncccc1-2
InChIInChI=1S/C23H13NO2/c25-22(14-6-2-1-3-7-14)16-12-15-8-4-9-18-20(15)19(13-16)17-10-5-11-24-21(17)23(18)26/h1-13H
InChIKeyRIQRFHFSGQXFHP-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.68
Rot. Bonds2

About 2-benzoylphenaleno[2,3-b]pyridin-7-one

2-benzoylphenaleno[2,3-b]pyridin-7-one (PubChem CID 154370739) has the molecular formula C23H13NO2 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-benzoylphenaleno[2,3-b]pyridin-7-one.

Molecular Properties

Compound Name2-benzoylphenaleno[2,3-b]pyridin-7-one
PubChem CID154370739
Molecular FormulaC23H13NO2
Molecular Weight335.36 g/mol
Exact Mass335.09
IUPAC Name2-benzoylphenaleno[2,3-b]pyridin-7-one
SMILESO=C(c1ccccc1)c1cc2c3c(cccc3c1)C(=O)c1ncccc1-2
InChIInChI=1S/C23H13NO2/c25-22(14-6-2-1-3-7-14)16-12-15-8-4-9-18-20(15)19(13-16)17-10-5-11-24-21(17)23(18)26/h1-13H
InChIKeyRIQRFHFSGQXFHP-UHFFFAOYSA-N
XLogP4.68
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[8-(3-iodophenyl)quinolin-6-yl]-phenylmethanone
CID 10646520
6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 714778
1,2-dibromophenaleno[2,3-b]pyridin-7-one
CID 151541746
2-benzoylfuro[3,2-g]quinoline-4,9-dione
CID 142308028
[3,5-bis(pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene-5-carbonyl)phenyl]-(5-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)methanone
CID 89083300
4,7-phenanthroline-5,6-dione
CID 6764
15-benzyl-6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one
CID 22646470
6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
CID 15480973
anthracene;diphenylmethanone
CID 87408663
2-hydroxybenzo[b]phenalen-7-one
CID 11242034
(6-naphthalen-1-yl-3-pyridinyl)-phenylmethanone
CID 148605660
ethyl fluoranthene-2-carboxylate
CID 158100580

Frequently Asked Questions

What is the IUPAC name of 2-benzoylphenaleno[2,3-b]pyridin-7-one?
The IUPAC name of 2-benzoylphenaleno[2,3-b]pyridin-7-one (CID 154370739) is 2-benzoylphenaleno[2,3-b]pyridin-7-one.
What is the SMILES notation for 2-benzoylphenaleno[2,3-b]pyridin-7-one?
The canonical SMILES for 2-benzoylphenaleno[2,3-b]pyridin-7-one is O=C(c1ccccc1)c1cc2c3c(cccc3c1)C(=O)c1ncccc1-2.
What is the InChIKey of 2-benzoylphenaleno[2,3-b]pyridin-7-one?
The InChIKey is RIQRFHFSGQXFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13NO2/c25-22(14-6-2-1-3-7-14)16-12-15-8-4-9-18-20(15)19(13-16)17-10-5-11-24-21(17)23(18)26/h1-13H.
What are the key properties of 2-benzoylphenaleno[2,3-b]pyridin-7-one?
2-benzoylphenaleno[2,3-b]pyridin-7-one has a molecular weight of 335.36 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoylphenaleno[2,3-b]pyridin-7-one is sourced from PubChem (CID 154370739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).