7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine

C16H22FN3O2 — CID 133492096

IUPAC7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine
SMILESCOc1cc2c(NCC(OC)C(C)(C)C)ncnc2cc1F
InChIInChI=1S/C16H22FN3O2/c1-16(2,3)14(22-5)8-18-15-10-6-13(21-4)11(17)7-12(10)19-9-20-15/h6-7,9,14H,8H2,1-5H3,(H,18,19,20)
InChIKeyFBNNMAARJMAFCK-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.25
Rot. Bonds5

About 7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine

7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine (PubChem CID 133492096) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine
PubChem CID133492096
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine
SMILESCOc1cc2c(NCC(OC)C(C)(C)C)ncnc2cc1F
InChIInChI=1S/C16H22FN3O2/c1-16(2,3)14(22-5)8-18-15-10-6-13(21-4)11(17)7-12(10)19-9-20-15/h6-7,9,14H,8H2,1-5H3,(H,18,19,20)
InChIKeyFBNNMAARJMAFCK-UHFFFAOYSA-N
XLogP3.25
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine with MolForge

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Related Compounds

N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 133475530
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine
CID 100651225
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine
CID 99802726
7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine
CID 166223104
1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine
CID 167836399
N-(6,7-dimethoxyquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 21002974
N'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 133492287
6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83147579
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447
N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide
CID 155236083
N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796778

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine?
The IUPAC name of 7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine (CID 133492096) is 7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine.
What is the SMILES notation for 7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine?
The canonical SMILES for 7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine is COc1cc2c(NCC(OC)C(C)(C)C)ncnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine?
The InChIKey is FBNNMAARJMAFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-16(2,3)14(22-5)8-18-15-10-6-13(21-4)11(17)7-12(10)19-9-20-15/h6-7,9,14H,8H2,1-5H3,(H,18,19,20).
What are the key properties of 7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine?
7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine has a molecular weight of 307.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine is sourced from PubChem (CID 133492096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).