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

C19H19N3O2 — CID 21002947

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(N3CCc4ccccc4C3)c2cc1OC
InChIInChI=1S/C19H19N3O2/c1-23-17-9-15-16(10-18(17)24-2)20-12-21-19(15)22-8-7-13-5-3-4-6-14(13)11-22/h3-6,9-10,12H,7-8,11H2,1-2H3
InChIKeyMFVDZXFYCPXDHP-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.21
Rot. Bonds3

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

4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline (PubChem CID 21002947) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
PubChem CID21002947
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(N3CCc4ccccc4C3)c2cc1OC
InChIInChI=1S/C19H19N3O2/c1-23-17-9-15-16(10-18(17)24-2)20-12-21-19(15)22-8-7-13-5-3-4-6-14(13)11-22/h3-6,9-10,12H,7-8,11H2,1-2H3
InChIKeyMFVDZXFYCPXDHP-UHFFFAOYSA-N
XLogP3.21
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline
CID 11537337
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
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
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
1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine
CID 54313644
4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline
CID 18932856
(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol
CID 69368621

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline (CID 21002947) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline is COc1cc2ncnc(N3CCc4ccccc4C3)c2cc1OC.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline?
The InChIKey is MFVDZXFYCPXDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-23-17-9-15-16(10-18(17)24-2)20-12-21-19(15)22-8-7-13-5-3-4-6-14(13)11-22/h3-6,9-10,12H,7-8,11H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline has a molecular weight of 321.38 g/mol, XLogP of 3.21, 3 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)-6,7-dimethoxyquinazoline is sourced from PubChem (CID 21002947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).