N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine

C22H17BrFN3O — CID 141288058

IUPACN-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine
SMILESCc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C22H17BrFN3O/c1-14-9-17-20(11-21(14)28-12-15-5-3-2-4-6-15)25-13-26-22(17)27-19-8-7-16(23)10-18(19)24/h2-11,13H,12H2,1H3,(H,25,26,27)
InChIKeyQQUWVZPJFBNRSX-UHFFFAOYSA-N
MW438.30 g/mol
LogP6.16
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine

N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine (PubChem CID 141288058) has the molecular formula C22H17BrFN3O and a molecular weight of 438.30 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine
PubChem CID141288058
Molecular FormulaC22H17BrFN3O
Molecular Weight438.30 g/mol
Exact Mass437.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine
SMILESCc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C22H17BrFN3O/c1-14-9-17-20(11-21(14)28-12-15-5-3-2-4-6-15)25-13-26-22(17)27-19-8-7-16(23)10-18(19)24/h2-11,13H,12H2,1H3,(H,25,26,27)
InChIKeyQQUWVZPJFBNRSX-UHFFFAOYSA-N
XLogP6.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.30
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
N-(4-bromo-2-fluorophenyl)-7-[dideuterio-(1-methylpiperidin-4-yl)methoxy]-6-methylquinazolin-4-amine
CID 58264300
[4-(2-fluoro-4-methyl-5-phenylmethoxyanilino)-6-methoxyquinazolin-7-yl] acetate
CID 21260312
N-(2-bromo-4-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine
CID 141250948
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine
CID 118884409
[4-fluoro-5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]-2-methylphenyl] methyl carbonate
CID 22624931
7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine
CID 69100345
4-N-(4-bromo-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
CID 90746816
N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
4-(4-bromo-2-fluoroanilino)quinazolin-7-ol
CID 136619749
N-(4-bromo-2-fluorophenyl)-7-butoxy-6-methoxyquinazolin-4-amine;N,N-dimethylmethanamine
CID 157222571
4-N-(4-bromo-2-fluorophenyl)-7-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)quinazoline-4,6-diamine
CID 140533249

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine (CID 141288058) is N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine is Cc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCc1ccccc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine?
The InChIKey is QQUWVZPJFBNRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrFN3O/c1-14-9-17-20(11-21(14)28-12-15-5-3-2-4-6-15)25-13-26-22(17)27-19-8-7-16(23)10-18(19)24/h2-11,13H,12H2,1H3,(H,25,26,27).
What are the key properties of N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine?
N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine has a molecular weight of 438.30 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine is sourced from PubChem (CID 141288058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).