6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine

C24H17BrFN5O3 — CID 157047107

IUPAC6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Oc4cccc(-c5nnc(C)o5)c4)cc3F)c2cc1Br
InChIInChI=1S/C24H17BrFN5O3/c1-13-30-31-24(33-13)14-4-3-5-15(8-14)34-16-6-7-20(19(26)9-16)29-23-17-10-18(25)22(32-2)11-21(17)27-12-28-23/h3-12H,1-2H3,(H,27,28,29)
InChIKeyAXYOBXDEANKICL-UHFFFAOYSA-N
MW522.33 g/mol
LogP6.43
Rot. Bonds6

About 6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine

6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine (PubChem CID 157047107) has the molecular formula C24H17BrFN5O3 and a molecular weight of 522.33 g/mol. Its IUPAC name is 6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine
PubChem CID157047107
Molecular FormulaC24H17BrFN5O3
Molecular Weight522.33 g/mol
Exact Mass521.05
IUPAC Name6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Oc4cccc(-c5nnc(C)o5)c4)cc3F)c2cc1Br
InChIInChI=1S/C24H17BrFN5O3/c1-13-30-31-24(33-13)14-4-3-5-15(8-14)34-16-6-7-20(19(26)9-16)29-23-17-10-18(25)22(32-2)11-21(17)27-12-28-23/h3-12H,1-2H3,(H,27,28,29)
InChIKeyAXYOBXDEANKICL-UHFFFAOYSA-N
XLogP6.43
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.33
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine with MolForge

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Related Compounds

N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329
[3-[4-[4-[2-chloro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-3-oxoprop-1-en-2-yl] methanesulfonate
CID 153388245
N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride
CID 159999209
N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628743
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine
CID 118884409
N-(4-bromo-2-fluorophenyl)-7-butoxy-6-methoxyquinazolin-4-amine;N,N-dimethylmethanamine
CID 157222571
2-[2-[(6-amino-7-methoxyquinazolin-4-yl)amino]-5-(3-fluorophenoxy)phenyl]propan-2-ol
CID 168968495
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine
CID 146246203
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine?
The IUPAC name of 6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine (CID 157047107) is 6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine is COc1cc2ncnc(Nc3ccc(Oc4cccc(-c5nnc(C)o5)c4)cc3F)c2cc1Br.
What is the InChIKey of 6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine?
The InChIKey is AXYOBXDEANKICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrFN5O3/c1-13-30-31-24(33-13)14-4-3-5-15(8-14)34-16-6-7-20(19(26)9-16)29-23-17-10-18(25)22(32-2)11-21(17)27-12-28-23/h3-12H,1-2H3,(H,27,28,29).
What are the key properties of 6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine?
6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine has a molecular weight of 522.33 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 157047107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).