(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone

C20H19N3O3 — CID 70762974

IUPAC(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone
SMILESCc1noc2nc3c(c(C(=O)N4Cc5ccccc5C(O)C4)c12)CCC3
InChIInChI=1S/C20H19N3O3/c1-11-17-18(14-7-4-8-15(14)21-19(17)26-22-11)20(25)23-9-12-5-2-3-6-13(12)16(24)10-23/h2-3,5-6,16,24H,4,7-10H2,1H3
InChIKeyDFQWSIJDAYZVEL-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.71
Rot. Bonds1

About (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone

(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone (PubChem CID 70762974) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone
PubChem CID70762974
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone
SMILESCc1noc2nc3c(c(C(=O)N4Cc5ccccc5C(O)C4)c12)CCC3
InChIInChI=1S/C20H19N3O3/c1-11-17-18(14-7-4-8-15(14)21-19(17)26-22-11)20(25)23-9-12-5-2-3-6-13(12)16(24)10-23/h2-3,5-6,16,24H,4,7-10H2,1H3
InChIKeyDFQWSIJDAYZVEL-UHFFFAOYSA-N
XLogP2.71
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone 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 (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone?
The IUPAC name of (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone (CID 70762974) is (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone.
What is the SMILES notation for (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone?
The canonical SMILES for (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone is Cc1noc2nc3c(c(C(=O)N4Cc5ccccc5C(O)C4)c12)CCC3.
What is the InChIKey of (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone?
The InChIKey is DFQWSIJDAYZVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-11-17-18(14-7-4-8-15(14)21-19(17)26-22-11)20(25)23-9-12-5-2-3-6-13(12)16(24)10-23/h2-3,5-6,16,24H,4,7-10H2,1H3.
What are the key properties of (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone?
(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone has a molecular weight of 349.39 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)methanone is sourced from PubChem (CID 70762974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).