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

C23H22F2N6O — CID 163291005

IUPAC7-[1-(difluoromethyl)pyrazol-4-yl]-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cnn(C(F)F)c4)cc3n1)CN(C)CC2
InChIInChI=1S/C23H22F2N6O/c1-30-6-5-15-9-21(32-2)20(8-17(15)12-30)29-23-26-10-16-4-3-14(7-19(16)28-23)18-11-27-31(13-18)22(24)25/h3-4,7-11,13,22H,5-6,12H2,1-2H3,(H,26,28,29)
InChIKeyUQSIYZMVWQKMLD-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.63
Rot. Bonds5

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

7-[1-(difluoromethyl)pyrazol-4-yl]-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine (PubChem CID 163291005) has the molecular formula C23H22F2N6O and a molecular weight of 436.47 g/mol. Its IUPAC name is 7-[1-(difluoromethyl)pyrazol-4-yl]-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-[1-(difluoromethyl)pyrazol-4-yl]-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine
PubChem CID163291005
Molecular FormulaC23H22F2N6O
Molecular Weight436.47 g/mol
Exact Mass436.18
IUPAC Name7-[1-(difluoromethyl)pyrazol-4-yl]-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4cnn(C(F)F)c4)cc3n1)CN(C)CC2
InChIInChI=1S/C23H22F2N6O/c1-30-6-5-15-9-21(32-2)20(8-17(15)12-30)29-23-26-10-16-4-3-14(7-19(16)28-23)18-11-27-31(13-18)22(24)25/h3-4,7-11,13,22H,5-6,12H2,1-2H3,(H,26,28,29)
InChIKeyUQSIYZMVWQKMLD-UHFFFAOYSA-N
XLogP4.63
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[1-(difluoromethyl)pyrazol-4-yl]-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
The IUPAC name of 7-[1-(difluoromethyl)pyrazol-4-yl]-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine (CID 163291005) is 7-[1-(difluoromethyl)pyrazol-4-yl]-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine.
What is the SMILES notation for 7-[1-(difluoromethyl)pyrazol-4-yl]-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
The canonical SMILES for 7-[1-(difluoromethyl)pyrazol-4-yl]-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4cnn(C(F)F)c4)cc3n1)CN(C)CC2.
What is the InChIKey of 7-[1-(difluoromethyl)pyrazol-4-yl]-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
The InChIKey is UQSIYZMVWQKMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O/c1-30-6-5-15-9-21(32-2)20(8-17(15)12-30)29-23-26-10-16-4-3-14(7-19(16)28-23)18-11-27-31(13-18)22(24)25/h3-4,7-11,13,22H,5-6,12H2,1-2H3,(H,26,28,29).
What are the key properties of 7-[1-(difluoromethyl)pyrazol-4-yl]-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
7-[1-(difluoromethyl)pyrazol-4-yl]-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine has a molecular weight of 436.47 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(difluoromethyl)pyrazol-4-yl]-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine is sourced from PubChem (CID 163291005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).