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

C20H13NO — CID 164749311

IUPAC6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
SMILESCc1ccc2cc3c(nc2c1)-c1cccc2cccc(c12)O3
InChIInChI=1S/C20H13NO/c1-12-8-9-14-11-18-20(21-16(14)10-12)15-6-2-4-13-5-3-7-17(22-18)19(13)15/h2-11H,1H3
InChIKeyHIOSZGACBIPMAT-UHFFFAOYSA-N
MW283.33 g/mol
LogP5.47
Rot. Bonds

About 6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene

6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene (PubChem CID 164749311) has the molecular formula C20H13NO and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene.

Molecular Properties

Compound Name6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
PubChem CID164749311
Molecular FormulaC20H13NO
Molecular Weight283.33 g/mol
Exact Mass283.10
IUPAC Name6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
SMILESCc1ccc2cc3c(nc2c1)-c1cccc2cccc(c12)O3
InChIInChI=1S/C20H13NO/c1-12-8-9-14-11-18-20(21-16(14)10-12)15-6-2-4-13-5-3-7-17(22-18)19(13)15/h2-11H,1H3
InChIKeyHIOSZGACBIPMAT-UHFFFAOYSA-N
XLogP5.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.33
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene 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

9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline
CID 159278973
2,2-dimethyl-3-(12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-8-yl)propanenitrile
CID 167210403
7,12,12-trimethyl-3,10-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4(9),5,7,10,13,15,17(21),18-decaene
CID 164748474
3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene
CID 58122097
9-chloroacenaphthyleno[2,1-b]quinoline
CID 15183526
pyrene;1,3-xylene
CID 174892551
6-[10-(3-methylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 176590347
7-methyl-2-[(E)-2-(3-methylphenyl)ethenyl]quinoline
CID 145316477
2-bromo-7-methylquinoline
CID 83838584
5-benzo[a]anthracen-8-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 171044668
4-[1-methyl-2-(2-methylphenyl)carbazol-9-yl]-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 166982387
iridium;tris(7-methyl-2-(3-methylphenyl)quinoline)
CID 159550728

Frequently Asked Questions

What is the IUPAC name of 6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene?
The IUPAC name of 6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene (CID 164749311) is 6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene.
What is the SMILES notation for 6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene?
The canonical SMILES for 6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene is Cc1ccc2cc3c(nc2c1)-c1cccc2cccc(c12)O3.
What is the InChIKey of 6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene?
The InChIKey is HIOSZGACBIPMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO/c1-12-8-9-14-11-18-20(21-16(14)10-12)15-6-2-4-13-5-3-7-17(22-18)19(13)15/h2-11H,1H3.
What are the key properties of 6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene?
6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene has a molecular weight of 283.33 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-12-oxa-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene is sourced from PubChem (CID 164749311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).