5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol

C19H19N3O3 — CID 24508481

IUPAC5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc(OC)c2c1CN(c1ncnc3ccccc13)CC2O
InChIInChI=1S/C19H19N3O3/c1-24-16-7-8-17(25-2)18-13(16)9-22(10-15(18)23)19-12-5-3-4-6-14(12)20-11-21-19/h3-8,11,15,23H,9-10H2,1-2H3
InChIKeyHBEUZBIIUNVPRQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.70
Rot. Bonds3

About 5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol

5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 24508481) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID24508481
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc(OC)c2c1CN(c1ncnc3ccccc13)CC2O
InChIInChI=1S/C19H19N3O3/c1-24-16-7-8-17(25-2)18-13(16)9-22(10-15(18)23)19-12-5-3-4-6-14(12)20-11-21-19/h3-8,11,15,23H,9-10H2,1-2H3
InChIKeyHBEUZBIIUNVPRQ-UHFFFAOYSA-N
XLogP2.70
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of 5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol (CID 24508481) is 5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for 5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for 5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol is COc1ccc(OC)c2c1CN(c1ncnc3ccccc13)CC2O.
What is the InChIKey of 5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is HBEUZBIIUNVPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-16-7-8-17(25-2)18-13(16)9-22(10-15(18)23)19-12-5-3-4-6-14(12)20-11-21-19/h3-8,11,15,23H,9-10H2,1-2H3.
What are the key properties of 5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol?
5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 337.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 24508481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).