12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

C17H18N2O — CID 168862821

IUPAC12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESCOc1ccc(N2C3CCC2c2cnccc2C3)cc1
InChIInChI=1S/C17H18N2O/c1-20-15-5-2-13(3-6-15)19-14-4-7-17(19)16-11-18-9-8-12(16)10-14/h2-3,5-6,8-9,11,14,17H,4,7,10H2,1H3
InChIKeyHIITXRPLKZUMPV-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.36
Rot. Bonds2

About 12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 168862821) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
PubChem CID168862821
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESCOc1ccc(N2C3CCC2c2cnccc2C3)cc1
InChIInChI=1S/C17H18N2O/c1-20-15-5-2-13(3-6-15)19-14-4-7-17(19)16-11-18-9-8-12(16)10-14/h2-3,5-6,8-9,11,14,17H,4,7,10H2,1H3
InChIKeyHIITXRPLKZUMPV-UHFFFAOYSA-N
XLogP3.36
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene 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

6-Methoxy-3-pyridin-4-yl-quinoline
CID 10354094
N,N-diethyl-3-(6-methyl-8-phenyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983457
4-[1-(4-Methoxyphenyl)aziridin-2-yl]pyridine
CID 3816221
(4-Methoxy-phenyl)-methyl-(quinolin-4-yl)-amine
CID 11219278
3-(4-Methoxybenzylidene)anabaseine
CID 11601561
3-(3-Methoxybenzylidene)anabaseine
CID 11637689
7-((1-Isopropylpiperidin-4-yl)methoxy)-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15982036
N,N-diethyl-3-(8-(4-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983840
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline
CID 117988898
7-(3-Methoxyphenyl)-2-methyl-1,6-naphthyridine
CID 44434751
3-[1-[(3-Propoxyphenyl)methyl]piperidin-2-yl]pyridine;hydrochloride
CID 6603597
(Z)-3-(4-methoxyphenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
CID 12717118

Frequently Asked Questions

What is the IUPAC name of 12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of 12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (CID 168862821) is 12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for 12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for 12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is COc1ccc(N2C3CCC2c2cnccc2C3)cc1.
What is the InChIKey of 12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is HIITXRPLKZUMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-20-15-5-2-13(3-6-15)19-14-4-7-17(19)16-11-18-9-8-12(16)10-14/h2-3,5-6,8-9,11,14,17H,4,7,10H2,1H3.
What are the key properties of 12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 266.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 168862821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).