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

C26H25FN4O — CID 163290890

IUPAC7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4c(C)cccc4F)cc3n1)CN(C)CC2
InChIInChI=1S/C26H25FN4O/c1-16-5-4-6-21(27)25(16)18-7-8-19-14-28-26(29-22(19)11-18)30-23-12-20-15-31(2)10-9-17(20)13-24(23)32-3/h4-8,11-14H,9-10,15H2,1-3H3,(H,28,29,30)
InChIKeyAFTZVRFZCGZHFL-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.48
Rot. Bonds4

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

7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine (PubChem CID 163290890) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine
PubChem CID163290890
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC Name7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4c(C)cccc4F)cc3n1)CN(C)CC2
InChIInChI=1S/C26H25FN4O/c1-16-5-4-6-21(27)25(16)18-7-8-19-14-28-26(29-22(19)11-18)30-23-12-20-15-31(2)10-9-17(20)13-24(23)32-3/h4-8,11-14H,9-10,15H2,1-3H3,(H,28,29,30)
InChIKeyAFTZVRFZCGZHFL-UHFFFAOYSA-N
XLogP5.48
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 ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine with MolForge

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Related Compounds

Inixaciclib
CID 139390026
4-Anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
CID 155883039
Hpk1-IN-3
CID 155883041
2-Aminoquinazoline 28
CID 5330326
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinazolin-2-amine
CID 10068521
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(2-(1-methylpiperidin-4-yloxy)-5-(trifluoromethyl)phenyl)benzamide
CID 16086104
1-[4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(4-quinazolin-6-yloxyphenyl)urea
CID 134294508
US11180482, Example I-2
CID 134564617
WO2022098809, Example 4-1
CID 163291099
4-(2-tert-butylanilino)-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidine-5-carboxamide
CID 163291143
WO2022098809, Example 4-3
CID 163291165
4-[2-(1-methoxyethyl)anilino]-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidine-5-carboxamide
CID 163291207

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
The IUPAC name of 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine (CID 163290890) is 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine.
What is the SMILES notation for 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
The canonical SMILES for 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4c(C)cccc4F)cc3n1)CN(C)CC2.
What is the InChIKey of 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
The InChIKey is AFTZVRFZCGZHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c1-16-5-4-6-21(27)25(16)18-7-8-19-14-28-26(29-22(19)11-18)30-23-12-20-15-31(2)10-9-17(20)13-24(23)32-3/h4-8,11-14H,9-10,15H2,1-3H3,(H,28,29,30).
What are the key properties of 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine?
7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine has a molecular weight of 428.51 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)quinazolin-2-amine is sourced from PubChem (CID 163290890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).