3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one

C24H26FN3O2 — CID 23151327

IUPAC3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one
SMILESCc1nc2cc(F)ccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C24H26FN3O2/c1-16-26-23-15-17(25)5-10-22(23)24(29)28(16)19-6-8-20(9-7-19)30-21-11-13-27(14-12-21)18-3-2-4-18/h5-10,15,18,21H,2-4,11-14H2,1H3
InChIKeyOTYSUGYIRNYCSI-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.23
Rot. Bonds4

About 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one

3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one (PubChem CID 23151327) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one
PubChem CID23151327
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one
SMILESCc1nc2cc(F)ccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C24H26FN3O2/c1-16-26-23-15-17(25)5-10-22(23)24(29)28(16)19-6-8-20(9-7-19)30-21-11-13-27(14-12-21)18-3-2-4-18/h5-10,15,18,21H,2-4,11-14H2,1H3
InChIKeyOTYSUGYIRNYCSI-UHFFFAOYSA-N
XLogP4.23
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
CID 11501983
3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one
CID 23151162
7-fluoro-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11596368
3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one
CID 146078319
3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane
CID 162117435
3-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;3-[4-[3-(azetidin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one;3-[4-(1-cyclopropylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one;ethane
CID 159403162
tert-butyl 4-[4-(2-methyl-4-oxoquinazolin-3-yl)phenoxy]piperidine-1-carboxylate
CID 23151302
7-fluoro-3-(3-hydroxyphenyl)-2-methylquinazolin-4-one
CID 166524233
3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 171649552
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one
CID 172752765
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one
CID 66784665
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine
CID 68789971

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one?
The IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one (CID 23151327) is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one?
The canonical SMILES for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one is Cc1nc2cc(F)ccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one?
The InChIKey is OTYSUGYIRNYCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-16-26-23-15-17(25)5-10-22(23)24(29)28(16)19-6-8-20(9-7-19)30-21-11-13-27(14-12-21)18-3-2-4-18/h5-10,15,18,21H,2-4,11-14H2,1H3.
What are the key properties of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one?
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one has a molecular weight of 407.49 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one is sourced from PubChem (CID 23151327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).