4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine

C26H25FN4O — CID 21476477

IUPAC4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine
SMILESCOc1cccc2c(N3CC(C)c4ccccc4C3C)nc(Nc3ccc(F)cc3)nc12
InChIInChI=1S/C26H25FN4O/c1-16-15-31(17(2)21-8-5-4-7-20(16)21)25-22-9-6-10-23(32-3)24(22)29-26(30-25)28-19-13-11-18(27)12-14-19/h4-14,16-17H,15H2,1-3H3,(H,28,29,30)
InChIKeyYSKGIAKIYHEVPX-UHFFFAOYSA-N
MW428.51 g/mol
LogP6.21
Rot. Bonds4

About 4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine

4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine (PubChem CID 21476477) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine.

Molecular Properties

Compound Name4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine
PubChem CID21476477
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC Name4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine
SMILESCOc1cccc2c(N3CC(C)c4ccccc4C3C)nc(Nc3ccc(F)cc3)nc12
InChIInChI=1S/C26H25FN4O/c1-16-15-31(17(2)21-8-5-4-7-20(16)21)25-22-9-6-10-23(32-3)24(22)29-26(30-25)28-19-13-11-18(27)12-14-19/h4-14,16-17H,15H2,1-3H3,(H,28,29,30)
InChIKeyYSKGIAKIYHEVPX-UHFFFAOYSA-N
XLogP6.21
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-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

Related Compounds

4-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine
CID 21476464
4-(1,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine;hydrochloride
CID 21476486
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine
CID 21476467
4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-fluoro-8-methoxy-N-(2-methylphenyl)quinazolin-2-amine;hydrochloride
CID 158554832
4-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluoro-2-methylphenyl)-8-methoxyquinazolin-2-amine
CID 21476481
(7S)-2-(4-fluoroanilino)-7-(2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 29156655
4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720850
2-amino-5-[[4-[(3S)-3-(ethylamino)pyrrolidin-1-yl]-8-methoxyquinazolin-2-yl]amino]benzonitrile
CID 172778086
N,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine
CID 16754233
2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67718532
N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 2796483
8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine
CID 10248595

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine?
The IUPAC name of 4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine (CID 21476477) is 4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine.
What is the SMILES notation for 4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine?
The canonical SMILES for 4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine is COc1cccc2c(N3CC(C)c4ccccc4C3C)nc(Nc3ccc(F)cc3)nc12.
What is the InChIKey of 4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine?
The InChIKey is YSKGIAKIYHEVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c1-16-15-31(17(2)21-8-5-4-7-20(16)21)25-22-9-6-10-23(32-3)24(22)29-26(30-25)28-19-13-11-18(27)12-14-19/h4-14,16-17H,15H2,1-3H3,(H,28,29,30).
What are the key properties of 4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine?
4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine has a molecular weight of 428.51 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)-8-methoxyquinazolin-2-amine is sourced from PubChem (CID 21476477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).