N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine

C22H17BrFN3O — CID 139768592

IUPACN-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine
SMILESFc1ccccc1COCc1ccc(Nc2ncc3ccccc3n2)c(Br)c1
InChIInChI=1S/C22H17BrFN3O/c23-18-11-15(13-28-14-17-6-1-3-7-19(17)24)9-10-21(18)27-22-25-12-16-5-2-4-8-20(16)26-22/h1-12H,13-14H2,(H,25,26,27)
InChIKeySTHYNUBLVHMOGD-UHFFFAOYSA-N
MW438.30 g/mol
LogP5.99
Rot. Bonds6

About N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine

N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine (PubChem CID 139768592) has the molecular formula C22H17BrFN3O and a molecular weight of 438.30 g/mol. Its IUPAC name is N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine.

Molecular Properties

Compound NameN-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine
PubChem CID139768592
Molecular FormulaC22H17BrFN3O
Molecular Weight438.30 g/mol
Exact Mass437.05
IUPAC NameN-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine
SMILESFc1ccccc1COCc1ccc(Nc2ncc3ccccc3n2)c(Br)c1
InChIInChI=1S/C22H17BrFN3O/c23-18-11-15(13-28-14-17-6-1-3-7-19(17)24)9-10-21(18)27-22-25-12-16-5-2-4-8-20(16)26-22/h1-12H,13-14H2,(H,25,26,27)
InChIKeySTHYNUBLVHMOGD-UHFFFAOYSA-N
XLogP5.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.30
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2R)-morpholin-2-yl]phenyl]quinazolin-2-amine
CID 68325740
6-(3-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
CID 67602465
6-(4-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
CID 67605236
6-(2-fluorophenyl)-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
CID 67890779
N-[2-bromo-5-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine
CID 85129415
N-[2-bromo-5-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine
CID 90972995
6-Bromo-2-fluoro-8-(methoxymethyl)quinazoline
CID 138676809
N-[3-bromo-5-(methoxymethyl)phenyl]-4-(2,4-difluorophenyl)-5-fluoropyrimidin-2-amine
CID 141404918
N-[2-bromo-5-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine
CID 142929578
2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine
CID 174545589
8-(2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine
CID 175010411
8-(3-fluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine
CID 175013541

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine?
The IUPAC name of N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine (CID 139768592) is N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine.
What is the SMILES notation for N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine?
The canonical SMILES for N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine is Fc1ccccc1COCc1ccc(Nc2ncc3ccccc3n2)c(Br)c1.
What is the InChIKey of N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine?
The InChIKey is STHYNUBLVHMOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrFN3O/c23-18-11-15(13-28-14-17-6-1-3-7-19(17)24)9-10-21(18)27-22-25-12-16-5-2-4-8-20(16)26-22/h1-12H,13-14H2,(H,25,26,27).
What are the key properties of N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine?
N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine has a molecular weight of 438.30 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine is sourced from PubChem (CID 139768592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).