6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine

C20H22N4O3 — CID 21416702

IUPAC6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
SMILESCOc1ccc2c(c1)CN(c1nc(N)c3cc(OC)c(OC)cc3n1)CC2
InChIInChI=1S/C20H22N4O3/c1-25-14-5-4-12-6-7-24(11-13(12)8-14)20-22-16-10-18(27-3)17(26-2)9-15(16)19(21)23-20/h4-5,8-10H,6-7,11H2,1-3H3,(H2,21,22,23)
InChIKeyNKKODWZSAFFIAE-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.80
Rot. Bonds4

About 6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine

6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine (PubChem CID 21416702) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
PubChem CID21416702
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
SMILESCOc1ccc2c(c1)CN(c1nc(N)c3cc(OC)c(OC)cc3n1)CC2
InChIInChI=1S/C20H22N4O3/c1-25-14-5-4-12-6-7-24(11-13(12)8-14)20-22-16-10-18(27-3)17(26-2)9-15(16)19(21)23-20/h4-5,8-10H,6-7,11H2,1-3H3,(H2,21,22,23)
InChIKeyNKKODWZSAFFIAE-UHFFFAOYSA-N
XLogP2.80
TPSA82.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine (CID 21416702) is 6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine is COc1ccc2c(c1)CN(c1nc(N)c3cc(OC)c(OC)cc3n1)CC2.
What is the InChIKey of 6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine?
The InChIKey is NKKODWZSAFFIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-25-14-5-4-12-6-7-24(11-13(12)8-14)20-22-16-10-18(27-3)17(26-2)9-15(16)19(21)23-20/h4-5,8-10H,6-7,11H2,1-3H3,(H2,21,22,23).
What are the key properties of 6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine?
6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine has a molecular weight of 366.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine is sourced from PubChem (CID 21416702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).