2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one

C20H11NO — CID 177256139

IUPAC2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one
SMILESO=C1C=CC=c2ccc3nc4c(cc3c21)C=c1ccccc1=4
InChIInChI=1S/C20H11NO/c22-18-7-3-5-12-8-9-17-16(19(12)18)11-14-10-13-4-1-2-6-15(13)20(14)21-17/h1-11H
InChIKeyHMKQGDKWFHZNFH-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.20
Rot. Bonds

About 2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one

2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one (PubChem CID 177256139) has the molecular formula C20H11NO and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one.

Molecular Properties

Compound Name2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one
PubChem CID177256139
Molecular FormulaC20H11NO
Molecular Weight281.31 g/mol
Exact Mass281.08
IUPAC Name2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one
SMILESO=C1C=CC=c2ccc3nc4c(cc3c21)C=c1ccccc1=4
InChIInChI=1S/C20H11NO/c22-18-7-3-5-12-8-9-17-16(19(12)18)11-14-10-13-4-1-2-6-15(13)20(14)21-17/h1-11H
InChIKeyHMKQGDKWFHZNFH-UHFFFAOYSA-N
XLogP2.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-azepine;hexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1,3,5,7,10,12,14,16,18,20,22,24-dodecaen-9-one
CID 174843676
tetracene-1,6-dione
CID 87390098
benzo[c]fluoren-11-one
CID 101061208
indeno[2,1-f]quinolin-1-one
CID 154129732
N-methylperoxybenzo[a]fluoren-1-imine
CID 141413724
as-indacene;benzene
CID 161093559
9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaen-20-one
CID 134163455
(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-1-[(3Z)-3-(6-naphthalen-1-yl-1H-pyridin-2-ylidene)-2-oxonaphthalen-1-yl]naphthalen-2-one
CID 11216148
cyclopenta[c]quinolin-1-one
CID 145005244
tetracyclo[10.3.1.02,10.03,8]hexadeca-1(15),2,4,6,8,10,12(16),13-octaene
CID 173242499
10-chloro-8-hydroxyindeno[1,2-b]quinolin-11-one
CID 19081815
6,7-bis(dichloromethyl)-8,12-diphenylbenzo[a]heptalene
CID 101012760

Frequently Asked Questions

What is the IUPAC name of 2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one?
The IUPAC name of 2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one (CID 177256139) is 2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one.
What is the SMILES notation for 2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one?
The canonical SMILES for 2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one is O=C1C=CC=c2ccc3nc4c(cc3c21)C=c1ccccc1=4.
What is the InChIKey of 2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one?
The InChIKey is HMKQGDKWFHZNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11NO/c22-18-7-3-5-12-8-9-17-16(19(12)18)11-14-10-13-4-1-2-6-15(13)20(14)21-17/h1-11H.
What are the key properties of 2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one?
2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one has a molecular weight of 281.31 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3,5,7,9,11,13,16,18,20-decaen-15-one is sourced from PubChem (CID 177256139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).