N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine

C25H23N7O — CID 163290737

IUPACN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4ccn5ncnc5c4)cc3n1)CN(C)CC2
InChIInChI=1S/C25H23N7O/c1-31-7-5-17-11-23(33-2)22(10-20(17)14-31)30-25-26-13-19-4-3-16(9-21(19)29-25)18-6-8-32-24(12-18)27-15-28-32/h3-4,6,8-13,15H,5,7,14H2,1-2H3,(H,26,29,30)
InChIKeyTTXNATGDOHVYQQ-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.08
Rot. Bonds4

About N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine

N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine (PubChem CID 163290737) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine
PubChem CID163290737
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4ccn5ncnc5c4)cc3n1)CN(C)CC2
InChIInChI=1S/C25H23N7O/c1-31-7-5-17-11-23(33-2)22(10-20(17)14-31)30-25-26-13-19-4-3-16(9-21(19)29-25)18-6-8-32-24(12-18)27-15-28-32/h3-4,6,8-13,15H,5,7,14H2,1-2H3,(H,26,29,30)
InChIKeyTTXNATGDOHVYQQ-UHFFFAOYSA-N
XLogP4.08
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine?
The IUPAC name of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine (CID 163290737) is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine.
What is the SMILES notation for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine?
The canonical SMILES for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4ccn5ncnc5c4)cc3n1)CN(C)CC2.
What is the InChIKey of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine?
The InChIKey is TTXNATGDOHVYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-31-7-5-17-11-23(33-2)22(10-20(17)14-31)30-25-26-13-19-4-3-16(9-21(19)29-25)18-6-8-32-24(12-18)27-15-28-32/h3-4,6,8-13,15H,5,7,14H2,1-2H3,(H,26,29,30).
What are the key properties of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine?
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine has a molecular weight of 437.51 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine is sourced from PubChem (CID 163290737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).