4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline

C20H21N3O2 — CID 11537337

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline
SMILESCCOc1cc2c(N3CCc4ccccc4C3)ncnc2cc1OC
InChIInChI=1S/C20H21N3O2/c1-3-25-19-10-16-17(11-18(19)24-2)21-13-22-20(16)23-9-8-14-6-4-5-7-15(14)12-23/h4-7,10-11,13H,3,8-9,12H2,1-2H3
InChIKeyWGDYPQLFKDSLSE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.60
Rot. Bonds4

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline

4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline (PubChem CID 11537337) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline
PubChem CID11537337
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline
SMILESCCOc1cc2c(N3CCc4ccccc4C3)ncnc2cc1OC
InChIInChI=1S/C20H21N3O2/c1-3-25-19-10-16-17(11-18(19)24-2)21-13-22-20(16)23-9-8-14-6-4-5-7-15(14)12-23/h4-7,10-11,13H,3,8-9,12H2,1-2H3
InChIKeyWGDYPQLFKDSLSE-UHFFFAOYSA-N
XLogP3.60
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane
CID 143095921
1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline
CID 11645449
4-(1,3-dihydroisoindol-2-yl)-6-methoxyquinazolin-7-ol
CID 143413846
acetic acid;2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 143413817
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile
CID 91313177
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
1-(6-ethoxy-7-methoxyquinazolin-4-yl)-5-phenylpiperidin-3-ol
CID 11581681
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
CID 22954242
4-(3,4-dihydro-2H-quinolin-1-yl)-6,7-dimethoxyquinazoline;hydrochloride
CID 18770804

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline (CID 11537337) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline is CCOc1cc2c(N3CCc4ccccc4C3)ncnc2cc1OC.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline?
The InChIKey is WGDYPQLFKDSLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-25-19-10-16-17(11-18(19)24-2)21-13-22-20(16)23-9-8-14-6-4-5-7-15(14)12-23/h4-7,10-11,13H,3,8-9,12H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline has a molecular weight of 335.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline is sourced from PubChem (CID 11537337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).