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

C21H21FN4O2 — CID 45483261

IUPAC7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2ncncc21
InChIInChI=1S/C21H21FN4O2/c22-15-1-2-16-20(9-15)28-25-21(16)14-3-5-26(6-4-14)11-13-7-18-17(19(27)8-13)10-23-12-24-18/h1-2,9-10,12-14H,3-8,11H2
InChIKeyZOGCPCPBHXLAHX-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.38
Rot. Bonds3

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

7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 45483261) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID45483261
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2ncncc21
InChIInChI=1S/C21H21FN4O2/c22-15-1-2-16-20(9-15)28-25-21(16)14-3-5-26(6-4-14)11-13-7-18-17(19(27)8-13)10-23-12-24-18/h1-2,9-10,12-14H,3-8,11H2
InChIKeyZOGCPCPBHXLAHX-UHFFFAOYSA-N
XLogP3.38
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 24900557
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]-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
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
3-(4-Fluorophenyl)-7-pyrrolo[1,2-c]pyrimidin-4-yl-1,2-benzoxazole
CID 71544318
5-Fluoro-3-[1-[6-(2-methoxypyrimidin-5-yl)pyridazin-3-yl]piperidin-4-yl]-1,2-benzoxazole
CID 89628109
US10745401, Example 121
CID 146344050
US10745401, Example 143
CID 146344672
N-ethyl-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-phenylpiperidine-3-carboxamide
CID 16023668
N-butyl-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide
CID 16023640

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one (CID 45483261) is 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-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]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2ncncc21.
What is the InChIKey of 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is ZOGCPCPBHXLAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-15-1-2-16-20(9-15)28-25-21(16)14-3-5-26(6-4-14)11-13-7-18-17(19(27)8-13)10-23-12-24-18/h1-2,9-10,12-14H,3-8,11H2.
What are the key properties of 7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one?
7-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 380.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 45483261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).