N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methoxy-3-pyridinyl)quinazolin-2-amine

C25H25N5O2 — CID 163290952

IUPACN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methoxy-3-pyridinyl)quinazolin-2-amine
SMILESCOc1cncc(-c2ccc3cnc(Nc4cc5c(cc4OC)CCN(C)C5)nc3c2)c1
InChIInChI=1S/C25H25N5O2/c1-30-7-6-17-11-24(32-3)23(10-20(17)15-30)29-25-27-13-18-5-4-16(9-22(18)28-25)19-8-21(31-2)14-26-12-19/h4-5,8-14H,6-7,15H2,1-3H3,(H,27,28,29)
InChIKeyHILZUCQRSGLMFC-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.44
Rot. Bonds5

About N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methoxy-3-pyridinyl)quinazolin-2-amine

N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methoxy-3-pyridinyl)quinazolin-2-amine (PubChem CID 163290952) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methoxy-3-pyridinyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methoxy-3-pyridinyl)quinazolin-2-amine
PubChem CID163290952
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methoxy-3-pyridinyl)quinazolin-2-amine
SMILESCOc1cncc(-c2ccc3cnc(Nc4cc5c(cc4OC)CCN(C)C5)nc3c2)c1
InChIInChI=1S/C25H25N5O2/c1-30-7-6-17-11-24(32-3)23(10-20(17)15-30)29-25-27-13-18-5-4-16(9-22(18)28-25)19-8-21(31-2)14-26-12-19/h4-5,8-14H,6-7,15H2,1-3H3,(H,27,28,29)
InChIKeyHILZUCQRSGLMFC-UHFFFAOYSA-N
XLogP4.44
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(5-methoxy-3-pyridinyl)quinazolin-2-amine?
The IUPAC name of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methoxy-3-pyridinyl)quinazolin-2-amine (CID 163290952) is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methoxy-3-pyridinyl)quinazolin-2-amine.
What is the SMILES notation for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methoxy-3-pyridinyl)quinazolin-2-amine?
The canonical SMILES for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methoxy-3-pyridinyl)quinazolin-2-amine is COc1cncc(-c2ccc3cnc(Nc4cc5c(cc4OC)CCN(C)C5)nc3c2)c1.
What is the InChIKey of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methoxy-3-pyridinyl)quinazolin-2-amine?
The InChIKey is HILZUCQRSGLMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-30-7-6-17-11-24(32-3)23(10-20(17)15-30)29-25-27-13-18-5-4-16(9-22(18)28-25)19-8-21(31-2)14-26-12-19/h4-5,8-14H,6-7,15H2,1-3H3,(H,27,28,29).
What are the key properties of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methoxy-3-pyridinyl)quinazolin-2-amine?
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methoxy-3-pyridinyl)quinazolin-2-amine has a molecular weight of 427.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(5-methoxy-3-pyridinyl)quinazolin-2-amine is sourced from PubChem (CID 163290952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).