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

C26H25N5O — CID 163290727

IUPAC7-(2,3-dihydro-1H-indol-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4ccc5c(c4)CCN5)cc3n1)CNCC2
InChIInChI=1S/C26H25N5O/c1-32-25-13-18-6-8-27-14-21(18)12-24(25)31-26-29-15-20-3-2-17(11-23(20)30-26)16-4-5-22-19(10-16)7-9-28-22/h2-5,10-13,15,27-28H,6-9,14H2,1H3,(H,29,30,31)
InChIKeyNALJFYQGWPZUFQ-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.66
Rot. Bonds4

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

7-(2,3-dihydro-1H-indol-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine (PubChem CID 163290727) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 7-(2,3-dihydro-1H-indol-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-(2,3-dihydro-1H-indol-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
PubChem CID163290727
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name7-(2,3-dihydro-1H-indol-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4ccc5c(c4)CCN5)cc3n1)CNCC2
InChIInChI=1S/C26H25N5O/c1-32-25-13-18-6-8-27-14-21(18)12-24(25)31-26-29-15-20-3-2-17(11-23(20)30-26)16-4-5-22-19(10-16)7-9-28-22/h2-5,10-13,15,27-28H,6-9,14H2,1H3,(H,29,30,31)
InChIKeyNALJFYQGWPZUFQ-UHFFFAOYSA-N
XLogP4.66
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1H-indol-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The IUPAC name of 7-(2,3-dihydro-1H-indol-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine (CID 163290727) is 7-(2,3-dihydro-1H-indol-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-1H-indol-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The canonical SMILES for 7-(2,3-dihydro-1H-indol-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4ccc5c(c4)CCN5)cc3n1)CNCC2.
What is the InChIKey of 7-(2,3-dihydro-1H-indol-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The InChIKey is NALJFYQGWPZUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-32-25-13-18-6-8-27-14-21(18)12-24(25)31-26-29-15-20-3-2-17(11-23(20)30-26)16-4-5-22-19(10-16)7-9-28-22/h2-5,10-13,15,27-28H,6-9,14H2,1H3,(H,29,30,31).
What are the key properties of 7-(2,3-dihydro-1H-indol-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
7-(2,3-dihydro-1H-indol-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine has a molecular weight of 423.52 g/mol, XLogP of 4.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1H-indol-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine is sourced from PubChem (CID 163290727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).