7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one

C22H24FN5O2 — CID 24900557

IUPAC7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCNc1ncc2c(n1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O
InChIInChI=1S/C22H24FN5O2/c1-24-22-25-11-17-18(26-22)8-13(9-19(17)29)12-28-6-4-14(5-7-28)21-16-3-2-15(23)10-20(16)30-27-21/h2-3,10-11,13-14H,4-9,12H2,1H3,(H,24,25,26)
InChIKeyGFDZRHZKBRJIGS-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.42
Rot. Bonds4

About 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one

7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 24900557) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID24900557
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCNc1ncc2c(n1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O
InChIInChI=1S/C22H24FN5O2/c1-24-22-25-11-17-18(26-22)8-13(9-19(17)29)12-28-6-4-14(5-7-28)21-16-3-2-15(23)10-20(16)30-27-21/h2-3,10-11,13-14H,4-9,12H2,1H3,(H,24,25,26)
InChIKeyGFDZRHZKBRJIGS-UHFFFAOYSA-N
XLogP3.42
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-9-propan-2-yl-[1,2]oxazolo[5,4-h]quinazolin-2-amine
CID 167088716
N-(3-ethylphenyl)-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 16023676
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 20924828
N1-(4-(benzo[d]isoxazol-3-yl)pyrimidin-2-yl)-6-methylbenzene-1,3-diamine
CID 44420000
7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 45483190
7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one
CID 45483261
7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one
CID 45483269
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine
CID 70789692
3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 135331281
N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 25206376
7-(4-Methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole
CID 71544263
5-Fluoro-3-[1-[6-(2-methoxypyrimidin-5-yl)pyridazin-3-yl]piperidin-4-yl]-1,2-benzoxazole
CID 89628109

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one (CID 24900557) is 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one is CNc1ncc2c(n1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O.
What is the InChIKey of 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is GFDZRHZKBRJIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-24-22-25-11-17-18(26-22)8-13(9-19(17)29)12-28-6-4-14(5-7-28)21-16-3-2-15(23)10-20(16)30-27-21/h2-3,10-11,13-14H,4-9,12H2,1H3,(H,24,25,26).
What are the key properties of 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one?
7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 409.47 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 24900557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).