N-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide

C18H17FN4O — CID 24810354

IUPACN-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide
SMILESCC(=O)Nc1nc(N(C)C)c2cc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C18H17FN4O/c1-11(24)20-18-21-16-9-6-13(12-4-7-14(19)8-5-12)10-15(16)17(22-18)23(2)3/h4-10H,1-3H3,(H,20,21,22,24)
InChIKeyARGXHPHBYPUKHK-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.46
Rot. Bonds3

About N-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide

N-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide (PubChem CID 24810354) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide
PubChem CID24810354
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide
SMILESCC(=O)Nc1nc(N(C)C)c2cc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C18H17FN4O/c1-11(24)20-18-21-16-9-6-13(12-4-7-14(19)8-5-12)10-15(16)17(22-18)23(2)3/h4-10H,1-3H3,(H,20,21,22,24)
InChIKeyARGXHPHBYPUKHK-UHFFFAOYSA-N
XLogP3.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-fluorophenyl)-4-piperidin-1-ylquinazolin-2-yl]acetamide
CID 69014897
N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide
CID 70880579
N-[4-(cyclohexylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide
CID 69012164
N-[6-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-yl]acetamide
CID 68601586
N-[4-ethoxy-6-(4-fluorophenyl)quinolin-2-yl]acetamide
CID 110172120
N-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride
CID 52995658
N-[4-[2-acetamido-4-(3-methylanilino)quinazolin-6-yl]phenyl]acetamide
CID 91022001
N-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide
CID 69014977
N-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide
CID 69015295
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
N-[6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazolin-2-yl]acetamide
CID 68603998
N,N-dimethyl-6-phenyl-2-pyrazol-1-ylquinazolin-4-amine
CID 118000646

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide?
The IUPAC name of N-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide (CID 24810354) is N-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide?
The canonical SMILES for N-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide is CC(=O)Nc1nc(N(C)C)c2cc(-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of N-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide?
The InChIKey is ARGXHPHBYPUKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-11(24)20-18-21-16-9-6-13(12-4-7-14(19)8-5-12)10-15(16)17(22-18)23(2)3/h4-10H,1-3H3,(H,20,21,22,24).
What are the key properties of N-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide?
N-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide has a molecular weight of 324.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-6-(4-fluorophenyl)quinazolin-2-yl]acetamide is sourced from PubChem (CID 24810354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).