6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine

C17H14BrF2N3O2 — CID 87021028

IUPAC6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccc(Br)cc23)cc1OC(F)F
InChIInChI=1S/C17H14BrF2N3O2/c1-24-14-5-2-10(6-15(14)25-17(19)20)8-21-16-12-7-11(18)3-4-13(12)22-9-23-16/h2-7,9,17H,8H2,1H3,(H,21,22,23)
InChIKeyNQEGFEFUKOOFHT-UHFFFAOYSA-N
MW410.22 g/mol
LogP4.61
Rot. Bonds6

About 6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine

6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine (PubChem CID 87021028) has the molecular formula C17H14BrF2N3O2 and a molecular weight of 410.22 g/mol. Its IUPAC name is 6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
PubChem CID87021028
Molecular FormulaC17H14BrF2N3O2
Molecular Weight410.22 g/mol
Exact Mass409.02
IUPAC Name6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccc(Br)cc23)cc1OC(F)F
InChIInChI=1S/C17H14BrF2N3O2/c1-24-14-5-2-10(6-15(14)25-17(19)20)8-21-16-12-7-11(18)3-4-13(12)22-9-23-16/h2-7,9,17H,8H2,1H3,(H,21,22,23)
InChIKeyNQEGFEFUKOOFHT-UHFFFAOYSA-N
XLogP4.61
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.22
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
CID 36832499
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 87021045
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline
CID 78851352
6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine
CID 133314883
N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 36835195
6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 70854812
N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine
CID 21002609

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine (CID 87021028) is 6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine is COc1ccc(CNc2ncnc3ccc(Br)cc23)cc1OC(F)F.
What is the InChIKey of 6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine?
The InChIKey is NQEGFEFUKOOFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF2N3O2/c1-24-14-5-2-10(6-15(14)25-17(19)20)8-21-16-12-7-11(18)3-4-13(12)22-9-23-16/h2-7,9,17H,8H2,1H3,(H,21,22,23).
What are the key properties of 6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine?
6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine has a molecular weight of 410.22 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 87021028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).