N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine

C17H19FN6O — CID 100651225

IUPACN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine
SMILESCOc1cc2c(NCc3nnc(C4CCC4)n3C)ncnc2cc1F
InChIInChI=1S/C17H19FN6O/c1-24-15(22-23-17(24)10-4-3-5-10)8-19-16-11-6-14(25-2)12(18)7-13(11)20-9-21-16/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,20,21)
InChIKeyRFPGKJFIYCNBJS-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.79
Rot. Bonds5

About N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine

N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine (PubChem CID 100651225) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine
PubChem CID100651225
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine
SMILESCOc1cc2c(NCc3nnc(C4CCC4)n3C)ncnc2cc1F
InChIInChI=1S/C17H19FN6O/c1-24-15(22-23-17(24)10-4-3-5-10)8-19-16-11-6-14(25-2)12(18)7-13(11)20-9-21-16/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,20,21)
InChIKeyRFPGKJFIYCNBJS-UHFFFAOYSA-N
XLogP2.79
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine with MolForge

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Related Compounds

7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine
CID 133492096
1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 86793900
7-fluoro-6-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]quinazolin-4-amine
CID 166223104
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine
CID 99802726
N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 133475530
4-cyclohexyl-6,7-dimethoxyquinazoline
CID 67650996
6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
CID 175487045
4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline
CID 133492499
1-[4-[4-[(3-chloro-2-fluorophenyl)methylamino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 167487568
2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133475633

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine?
The IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine (CID 100651225) is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine.
What is the SMILES notation for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine?
The canonical SMILES for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine is COc1cc2c(NCc3nnc(C4CCC4)n3C)ncnc2cc1F.
What is the InChIKey of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine?
The InChIKey is RFPGKJFIYCNBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-24-15(22-23-17(24)10-4-3-5-10)8-19-16-11-6-14(25-2)12(18)7-13(11)20-9-21-16/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine?
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine has a molecular weight of 342.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 100651225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).