N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine

C24H22FN3O3 — CID 54450095

IUPACN-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(OCc4ccccc4F)cc3C)c2cc1OC
InChIInChI=1S/C24H22FN3O3/c1-15-10-17(31-13-16-6-4-5-7-19(16)25)8-9-20(15)28-24-18-11-22(29-2)23(30-3)12-21(18)26-14-27-24/h4-12,14H,13H2,1-3H3,(H,26,27,28)
InChIKeyWUINUFCMTXFYAA-UHFFFAOYSA-N
MW419.46 g/mol
LogP5.42
Rot. Bonds7

About N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine

N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 54450095) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
PubChem CID54450095
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC NameN-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(OCc4ccccc4F)cc3C)c2cc1OC
InChIInChI=1S/C24H22FN3O3/c1-15-10-17(31-13-16-6-4-5-7-19(16)25)8-9-20(15)28-24-18-11-22(29-2)23(30-3)12-21(18)26-14-27-24/h4-12,14H,13H2,1-3H3,(H,26,27,28)
InChIKeyWUINUFCMTXFYAA-UHFFFAOYSA-N
XLogP5.42
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.46
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine
CID 67700032
N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529
N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628743
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
[4-(2-fluoro-4-methyl-5-phenylmethoxyanilino)-6-methoxyquinazolin-7-yl] acetate
CID 21260312
6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane
CID 170967439
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
[4-(5-chloro-4-fluoro-2-methylanilino)-7-methoxyquinazolin-6-yl] acetate
CID 173197249
N-(2-bromo-4-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine
CID 141250948
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine (CID 54450095) is N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(Nc3ccc(OCc4ccccc4F)cc3C)c2cc1OC.
What is the InChIKey of N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is WUINUFCMTXFYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-15-10-17(31-13-16-6-4-5-7-19(16)25)8-9-20(15)28-24-18-11-22(29-2)23(30-3)12-21(18)26-14-27-24/h4-12,14H,13H2,1-3H3,(H,26,27,28).
What are the key properties of N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine?
N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 419.46 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 54450095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).