7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine

C25H23FN4O — CID 163290939

IUPAC7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4c(C)cccc4F)cc3n1)CNCC2
InChIInChI=1S/C25H23FN4O/c1-15-4-3-5-20(26)24(15)17-6-7-18-14-28-25(29-21(18)10-17)30-22-11-19-13-27-9-8-16(19)12-23(22)31-2/h3-7,10-12,14,27H,8-9,13H2,1-2H3,(H,28,29,30)
InChIKeySBAVZMAGPJDZLQ-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.14
Rot. Bonds4

About 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine

7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine (PubChem CID 163290939) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
PubChem CID163290939
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
SMILESCOc1cc2c(cc1Nc1ncc3ccc(-c4c(C)cccc4F)cc3n1)CNCC2
InChIInChI=1S/C25H23FN4O/c1-15-4-3-5-20(26)24(15)17-6-7-18-14-28-25(29-21(18)10-17)30-22-11-19-13-27-9-8-16(19)12-23(22)31-2/h3-7,10-12,14,27H,8-9,13H2,1-2H3,(H,28,29,30)
InChIKeySBAVZMAGPJDZLQ-UHFFFAOYSA-N
XLogP5.14
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-[3-(aminomethyl)phenyl]-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
CID 163290776
N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(5-methyl-3-pyridinyl)quinazolin-2-amine
CID 163290793
2-[3-[2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]quinazolin-7-yl]phenyl]acetonitrile
CID 163290968
7-(4-chloro-3-pyridinyl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
CID 163290894
N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylsulfonylphenyl)quinazolin-2-amine
CID 163290810
6-methoxy-N-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 165130190
4-N-[2-(dimethylamino)phenyl]-2-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-5-methylpyrimidine-2,4-diamine
CID 142365952
4-(2,6-difluoro-4-methylanilino)-2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
CID 170544421
cyclohexanol;6-methoxy-N-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 165130189
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine
CID 163290990
4-[[5-chloro-2-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidin-4-yl]amino]-3-dimethylphosphorylbenzenesulfonyl fluoride;dihydrochloride
CID 175843866
N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 70190585

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The IUPAC name of 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine (CID 163290939) is 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine.
What is the SMILES notation for 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The canonical SMILES for 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine is COc1cc2c(cc1Nc1ncc3ccc(-c4c(C)cccc4F)cc3n1)CNCC2.
What is the InChIKey of 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
The InChIKey is SBAVZMAGPJDZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c1-15-4-3-5-20(26)24(15)17-6-7-18-14-28-25(29-21(18)10-17)30-22-11-19-13-27-9-8-16(19)12-23(22)31-2/h3-7,10-12,14,27H,8-9,13H2,1-2H3,(H,28,29,30).
What are the key properties of 7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine?
7-(2-fluoro-6-methylphenyl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine has a molecular weight of 414.48 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 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-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine is sourced from PubChem (CID 163290939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).