10-[(3,4-dimethoxyphenyl)methylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol

C19H19N3O3 — CID 135955797

IUPAC10-[(3,4-dimethoxyphenyl)methylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
SMILESCOc1ccc(CNc2cc3c4c(c2O)N=CC=4CCN=3)cc1OC
InChIInChI=1S/C19H19N3O3/c1-24-15-4-3-11(7-16(15)25-2)9-21-14-8-13-17-12(5-6-20-13)10-22-18(17)19(14)23/h3-4,7-8,10,21,23H,5-6,9H2,1-2H3
InChIKeyGOWIKRVMNPKRQC-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.91
Rot. Bonds5

About 10-[(3,4-dimethoxyphenyl)methylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol

10-[(3,4-dimethoxyphenyl)methylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol (PubChem CID 135955797) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 10-[(3,4-dimethoxyphenyl)methylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol.

Molecular Properties

Compound Name10-[(3,4-dimethoxyphenyl)methylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
PubChem CID135955797
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name10-[(3,4-dimethoxyphenyl)methylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
SMILESCOc1ccc(CNc2cc3c4c(c2O)N=CC=4CCN=3)cc1OC
InChIInChI=1S/C19H19N3O3/c1-24-15-4-3-11(7-16(15)25-2)9-21-14-8-13-17-12(5-6-20-13)10-22-18(17)19(14)23/h3-4,7-8,10,21,23H,5-6,9H2,1-2H3
InChIKeyGOWIKRVMNPKRQC-UHFFFAOYSA-N
XLogP1.91
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[(3,4-dimethoxyphenyl)methylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
The IUPAC name of 10-[(3,4-dimethoxyphenyl)methylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol (CID 135955797) is 10-[(3,4-dimethoxyphenyl)methylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol.
What is the SMILES notation for 10-[(3,4-dimethoxyphenyl)methylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
The canonical SMILES for 10-[(3,4-dimethoxyphenyl)methylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol is COc1ccc(CNc2cc3c4c(c2O)N=CC=4CCN=3)cc1OC.
What is the InChIKey of 10-[(3,4-dimethoxyphenyl)methylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
The InChIKey is GOWIKRVMNPKRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-15-4-3-11(7-16(15)25-2)9-21-14-8-13-17-12(5-6-20-13)10-22-18(17)19(14)23/h3-4,7-8,10,21,23H,5-6,9H2,1-2H3.
What are the key properties of 10-[(3,4-dimethoxyphenyl)methylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
10-[(3,4-dimethoxyphenyl)methylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol has a molecular weight of 337.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3,4-dimethoxyphenyl)methylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol is sourced from PubChem (CID 135955797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).