N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine

C22H18FN3O3 — CID 122628529

IUPACN-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3F)c2cc1OC
InChIInChI=1S/C22H18FN3O3/c1-27-20-11-16-19(12-21(20)28-2)24-13-25-22(16)26-18-9-8-15(10-17(18)23)29-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,25,26)
InChIKeyLXZJSBZLEQKZDP-UHFFFAOYSA-N
MW391.40 g/mol
LogP5.32
Rot. Bonds6

About N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine

N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 122628529) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID122628529
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC NameN-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3F)c2cc1OC
InChIInChI=1S/C22H18FN3O3/c1-27-20-11-16-19(12-21(20)28-2)24-13-25-22(16)26-18-9-8-15(10-17(18)23)29-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,25,26)
InChIKeyLXZJSBZLEQKZDP-UHFFFAOYSA-N
XLogP5.32
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.40
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine
CID 122628532
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628743
N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride
CID 159999209
6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine
CID 157047107
N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 54450095
N-(4-bromo-2-fluorophenyl)-7-butoxy-6-methoxyquinazolin-4-amine;N,N-dimethylmethanamine
CID 157222571
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077494
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine (CID 122628529) is N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3F)c2cc1OC.
What is the InChIKey of N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is LXZJSBZLEQKZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-27-20-11-16-19(12-21(20)28-2)24-13-25-22(16)26-18-9-8-15(10-17(18)23)29-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,25,26).
What are the key properties of N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine?
N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 391.40 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 122628529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).