N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine

C16H14FN3O2S — CID 119045565

IUPACN-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine
SMILESCS(=O)(=O)c1ccc2ncnc(NCc3ccc(F)cc3)c2c1
InChIInChI=1S/C16H14FN3O2S/c1-23(21,22)13-6-7-15-14(8-13)16(20-10-19-15)18-9-11-2-4-12(17)5-3-11/h2-8,10H,9H2,1H3,(H,18,19,20)
InChIKeyWRKNMDDGABGGNF-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.78
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine

N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine (PubChem CID 119045565) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine
PubChem CID119045565
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine
SMILESCS(=O)(=O)c1ccc2ncnc(NCc3ccc(F)cc3)c2c1
InChIInChI=1S/C16H14FN3O2S/c1-23(21,22)13-6-7-15-14(8-13)16(20-10-19-15)18-9-11-2-4-12(17)5-3-11/h2-8,10H,9H2,1H3,(H,18,19,20)
InChIKeyWRKNMDDGABGGNF-UHFFFAOYSA-N
XLogP2.78
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923
N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine
CID 119045563
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
(2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol
CID 124847327
4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 86844952
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine
CID 119045660
6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine
CID 119049485
(3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol
CID 124741788
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119049577
7-N-ethyl-4-N-[(4-fluorophenyl)methyl]-6-nitroquinazoline-4,7-diamine
CID 22921739
N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine
CID 155524525
(2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol
CID 124851919

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine (CID 119045565) is N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine is CS(=O)(=O)c1ccc2ncnc(NCc3ccc(F)cc3)c2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine?
The InChIKey is WRKNMDDGABGGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-23(21,22)13-6-7-15-14(8-13)16(20-10-19-15)18-9-11-2-4-12(17)5-3-11/h2-8,10H,9H2,1H3,(H,18,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine?
N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine has a molecular weight of 331.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine is sourced from PubChem (CID 119045565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).