3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol

C19H14N4O2 — CID 4870764

IUPAC3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol
SMILESCc1oc2ncn3nc(-c4cc5ccccc5cc4O)nc3c2c1C
InChIInChI=1S/C19H14N4O2/c1-10-11(2)25-19-16(10)18-21-17(22-23(18)9-20-19)14-7-12-5-3-4-6-13(12)8-15(14)24/h3-9,24H,1-2H3
InChIKeyYSZNPGHZINERDU-UHFFFAOYSA-N
MW330.35 g/mol
LogP4.01
Rot. Bonds1

About 3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol

3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol (PubChem CID 4870764) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol.

Molecular Properties

Compound Name3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol
PubChem CID4870764
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol
SMILESCc1oc2ncn3nc(-c4cc5ccccc5cc4O)nc3c2c1C
InChIInChI=1S/C19H14N4O2/c1-10-11(2)25-19-16(10)18-21-17(22-23(18)9-20-19)14-7-12-5-3-4-6-13(12)8-15(14)24/h3-9,24H,1-2H3
InChIKeyYSZNPGHZINERDU-UHFFFAOYSA-N
XLogP4.01
TPSA76.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol?
The IUPAC name of 3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol (CID 4870764) is 3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol.
What is the SMILES notation for 3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol?
The canonical SMILES for 3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol is Cc1oc2ncn3nc(-c4cc5ccccc5cc4O)nc3c2c1C.
What is the InChIKey of 3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol?
The InChIKey is YSZNPGHZINERDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-10-11(2)25-19-16(10)18-21-17(22-23(18)9-20-19)14-7-12-5-3-4-6-13(12)8-15(14)24/h3-9,24H,1-2H3.
What are the key properties of 3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol?
3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol has a molecular weight of 330.35 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)naphthalen-2-ol is sourced from PubChem (CID 4870764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).