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

C17H15F2N3O2 — CID 36832499

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccccc23)cc1OC(F)F
InChIInChI=1S/C17H15F2N3O2/c1-23-14-7-6-11(8-15(14)24-17(18)19)9-20-16-12-4-2-3-5-13(12)21-10-22-16/h2-8,10,17H,9H2,1H3,(H,20,21,22)
InChIKeyKHNISHGXCHKTJA-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.85
Rot. Bonds6

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

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine (PubChem CID 36832499) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
PubChem CID36832499
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccccc23)cc1OC(F)F
InChIInChI=1S/C17H15F2N3O2/c1-23-14-7-6-11(8-15(14)24-17(18)19)9-20-16-12-4-2-3-5-13(12)21-10-22-16/h2-8,10,17H,9H2,1H3,(H,20,21,22)
InChIKeyKHNISHGXCHKTJA-UHFFFAOYSA-N
XLogP3.85
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
6-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
CID 87021028
N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 36835195
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 71896337
N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine
CID 91644459
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 87021045
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline
CID 78851352
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 34623549
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine (CID 36832499) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine is COc1ccc(CNc2ncnc3ccccc23)cc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine?
The InChIKey is KHNISHGXCHKTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c1-23-14-7-6-11(8-15(14)24-17(18)19)9-20-16-12-4-2-3-5-13(12)21-10-22-16/h2-8,10,17H,9H2,1H3,(H,20,21,22).
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine has a molecular weight of 331.32 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 36832499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).