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

C23H24N6O — CID 163290901

IUPACN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methyl-1H-pyrazol-4-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cn[nH]c4C)cc3n1)CN(C)CC2
InChIInChI=1S/C23H24N6O/c1-14-19(12-25-28-14)16-4-5-17-11-24-23(26-20(17)8-16)27-21-9-18-13-29(2)7-6-15(18)10-22(21)30-3/h4-5,8-12H,6-7,13H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyFYBZHLJIWSLURW-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.07
Rot. Bonds4

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

N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methyl-1H-pyrazol-4-yl)quinazolin-2-amine (PubChem CID 163290901) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methyl-1H-pyrazol-4-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methyl-1H-pyrazol-4-yl)quinazolin-2-amine
PubChem CID163290901
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methyl-1H-pyrazol-4-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cn[nH]c4C)cc3n1)CN(C)CC2
InChIInChI=1S/C23H24N6O/c1-14-19(12-25-28-14)16-4-5-17-11-24-23(26-20(17)8-16)27-21-9-18-13-29(2)7-6-15(18)10-22(21)30-3/h4-5,8-12H,6-7,13H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyFYBZHLJIWSLURW-UHFFFAOYSA-N
XLogP4.07
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-methyl-1H-pyrazol-4-yl)quinazolin-2-amine?
The IUPAC name of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methyl-1H-pyrazol-4-yl)quinazolin-2-amine (CID 163290901) is N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methyl-1H-pyrazol-4-yl)quinazolin-2-amine.
What is the SMILES notation for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methyl-1H-pyrazol-4-yl)quinazolin-2-amine?
The canonical SMILES for N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methyl-1H-pyrazol-4-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4cn[nH]c4C)cc3n1)CN(C)CC2.
What is the InChIKey of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methyl-1H-pyrazol-4-yl)quinazolin-2-amine?
The InChIKey is FYBZHLJIWSLURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-14-19(12-25-28-14)16-4-5-17-11-24-23(26-20(17)8-16)27-21-9-18-13-29(2)7-6-15(18)10-22(21)30-3/h4-5,8-12H,6-7,13H2,1-3H3,(H,25,28)(H,24,26,27).
What are the key properties of N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methyl-1H-pyrazol-4-yl)quinazolin-2-amine?
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(5-methyl-1H-pyrazol-4-yl)quinazolin-2-amine has a molecular weight of 400.49 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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-methyl-1H-pyrazol-4-yl)quinazolin-2-amine is sourced from PubChem (CID 163290901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).