N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine

C26H26N6O2 — CID 163290845

IUPACN-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cnc5c(c4)OCCN5C)cc3n1)CNCC2
InChIInChI=1S/C26H26N6O2/c1-32-7-8-34-24-12-20(15-28-25(24)32)16-3-4-18-14-29-26(30-21(18)9-16)31-22-10-19-13-27-6-5-17(19)11-23(22)33-2/h3-4,9-12,14-15,27H,5-8,13H2,1-2H3,(H,29,30,31)
InChIKeyIUECPFSRGQPPCG-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.92
Rot. Bonds4

About N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine

N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine (PubChem CID 163290845) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine
PubChem CID163290845
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC NameN-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cnc5c(c4)OCCN5C)cc3n1)CNCC2
InChIInChI=1S/C26H26N6O2/c1-32-7-8-34-24-12-20(15-28-25(24)32)16-3-4-18-14-29-26(30-21(18)9-16)31-22-10-19-13-27-6-5-17(19)11-23(22)33-2/h3-4,9-12,14-15,27H,5-8,13H2,1-2H3,(H,29,30,31)
InChIKeyIUECPFSRGQPPCG-UHFFFAOYSA-N
XLogP3.92
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine?
The IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine (CID 163290845) is N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine.
What is the SMILES notation for N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine?
The canonical SMILES for N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4cnc5c(c4)OCCN5C)cc3n1)CNCC2.
What is the InChIKey of N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine?
The InChIKey is IUECPFSRGQPPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-32-7-8-34-24-12-20(15-28-25(24)32)16-3-4-18-14-29-26(30-21(18)9-16)31-22-10-19-13-27-6-5-17(19)11-23(22)33-2/h3-4,9-12,14-15,27H,5-8,13H2,1-2H3,(H,29,30,31).
What are the key properties of N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine?
N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine has a molecular weight of 454.53 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinazolin-2-amine is sourced from PubChem (CID 163290845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).