7-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine

C26H24N4O2 — CID 163290715

IUPAC7-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4ccc5c(c4)CCO5)cc3n1)CNCC2
InChIInChI=1S/C26H24N4O2/c1-31-25-13-18-6-8-27-14-21(18)12-23(25)30-26-28-15-20-3-2-17(11-22(20)29-26)16-4-5-24-19(10-16)7-9-32-24/h2-5,10-13,15,27H,6-9,14H2,1H3,(H,28,29,30)
InChIKeyDZLXYPUQRODPJI-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.63
Rot. Bonds4

About 7-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine

7-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine (PubChem CID 163290715) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 7-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
PubChem CID163290715
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name7-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4ccc5c(c4)CCO5)cc3n1)CNCC2
InChIInChI=1S/C26H24N4O2/c1-31-25-13-18-6-8-27-14-21(18)12-23(25)30-26-28-15-20-3-2-17(11-22(20)29-26)16-4-5-24-19(10-16)7-9-32-24/h2-5,10-13,15,27H,6-9,14H2,1H3,(H,28,29,30)
InChIKeyDZLXYPUQRODPJI-UHFFFAOYSA-N
XLogP4.63
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The IUPAC name of 7-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine (CID 163290715) is 7-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine.
What is the SMILES notation for 7-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The canonical SMILES for 7-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4ccc5c(c4)CCO5)cc3n1)CNCC2.
What is the InChIKey of 7-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The InChIKey is DZLXYPUQRODPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-31-25-13-18-6-8-27-14-21(18)12-23(25)30-26-28-15-20-3-2-17(11-22(20)29-26)16-4-5-24-19(10-16)7-9-32-24/h2-5,10-13,15,27H,6-9,14H2,1H3,(H,28,29,30).
What are the key properties of 7-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
7-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine has a molecular weight of 424.50 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine is sourced from PubChem (CID 163290715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).