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

C25H26N6O — CID 163290763

IUPAC7-(5-amino-4-methyl-3-pyridinyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cncc(N)c4C)cc3n1)CN(C)CC2
InChIInChI=1S/C25H26N6O/c1-15-20(12-27-13-21(15)26)17-4-5-18-11-28-25(29-22(18)8-17)30-23-9-19-14-31(2)7-6-16(19)10-24(23)32-3/h4-5,8-13H,6-7,14,26H2,1-3H3,(H,28,29,30)
InChIKeyWWXVYASKIJCPAY-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.32
Rot. Bonds4

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

7-(5-amino-4-methyl-3-pyridinyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine (PubChem CID 163290763) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 7-(5-amino-4-methyl-3-pyridinyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-(5-amino-4-methyl-3-pyridinyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine
PubChem CID163290763
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name7-(5-amino-4-methyl-3-pyridinyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cncc(N)c4C)cc3n1)CN(C)CC2
InChIInChI=1S/C25H26N6O/c1-15-20(12-27-13-21(15)26)17-4-5-18-11-28-25(29-22(18)8-17)30-23-9-19-14-31(2)7-6-16(19)10-24(23)32-3/h4-5,8-13H,6-7,14,26H2,1-3H3,(H,28,29,30)
InChIKeyWWXVYASKIJCPAY-UHFFFAOYSA-N
XLogP4.32
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(5-amino-4-methyl-3-pyridinyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
The IUPAC name of 7-(5-amino-4-methyl-3-pyridinyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine (CID 163290763) is 7-(5-amino-4-methyl-3-pyridinyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine.
What is the SMILES notation for 7-(5-amino-4-methyl-3-pyridinyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
The canonical SMILES for 7-(5-amino-4-methyl-3-pyridinyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4cncc(N)c4C)cc3n1)CN(C)CC2.
What is the InChIKey of 7-(5-amino-4-methyl-3-pyridinyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
The InChIKey is WWXVYASKIJCPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-15-20(12-27-13-21(15)26)17-4-5-18-11-28-25(29-22(18)8-17)30-23-9-19-14-31(2)7-6-16(19)10-24(23)32-3/h4-5,8-13H,6-7,14,26H2,1-3H3,(H,28,29,30).
What are the key properties of 7-(5-amino-4-methyl-3-pyridinyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
7-(5-amino-4-methyl-3-pyridinyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine has a molecular weight of 426.52 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-amino-4-methyl-3-pyridinyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine is sourced from PubChem (CID 163290763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).