5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one

C20H11NO — CID 86167510

IUPAC5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one
SMILESO=C1c2cc3cccnc3cc2-c2cccc3cccc1c23
InChIInChI=1S/C20H11NO/c22-20-15-8-2-5-12-4-1-7-14(19(12)15)16-11-18-13(10-17(16)20)6-3-9-21-18/h1-11H
InChIKeyQJOCXCSTJCWAIE-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.60
Rot. Bonds

About 5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one

5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one (PubChem CID 86167510) has the molecular formula C20H11NO and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one.

Molecular Properties

Compound Name5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one
PubChem CID86167510
Molecular FormulaC20H11NO
Molecular Weight281.31 g/mol
Exact Mass281.08
IUPAC Name5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one
SMILESO=C1c2cc3cccnc3cc2-c2cccc3cccc1c23
InChIInChI=1S/C20H11NO/c22-20-15-8-2-5-12-4-1-7-14(19(12)15)16-11-18-13(10-17(16)20)6-3-9-21-18/h1-11H
InChIKeyQJOCXCSTJCWAIE-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-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

anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
9-bromobenzo[a]phenalen-7-one
CID 118565290
benzo[a]phenalen-7-one;ethane
CID 90765972
11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione
CID 10776993
benzo[k]fluoranthene;ethane
CID 142369852
18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
CID 137294870
7H-benzo[g]quinolin-6-one
CID 176718507
2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine
CID 58471026
11-carbazol-9-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene
CID 137294852
2-phenylindeno[1,2-g]quinolin-10-one
CID 154625605
quinoline-6-sulfonamide
CID 23273907
acridine-1,2-dione;quinoline
CID 174809652

Frequently Asked Questions

What is the IUPAC name of 5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one?
The IUPAC name of 5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one (CID 86167510) is 5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one.
What is the SMILES notation for 5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one?
The canonical SMILES for 5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one is O=C1c2cc3cccnc3cc2-c2cccc3cccc1c23.
What is the InChIKey of 5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one?
The InChIKey is QJOCXCSTJCWAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11NO/c22-20-15-8-2-5-12-4-1-7-14(19(12)15)16-11-18-13(10-17(16)20)6-3-9-21-18/h1-11H.
What are the key properties of 5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one?
5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one has a molecular weight of 281.31 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one is sourced from PubChem (CID 86167510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).