3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one

C20H26FN3O — CID 146078319

IUPAC3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one
SMILESCc1nc2cc(F)ccc2c(=O)n1CC1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H26FN3O/c1-14-22-19-12-16(21)6-7-18(19)20(25)24(14)13-15-8-10-23(11-9-15)17-4-2-3-5-17/h6-7,12,15,17H,2-5,8-11,13H2,1H3
InChIKeyJCMHINNXWGUFSF-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.50
Rot. Bonds3

About 3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one

3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one (PubChem CID 146078319) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one
PubChem CID146078319
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one
SMILESCc1nc2cc(F)ccc2c(=O)n1CC1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H26FN3O/c1-14-22-19-12-16(21)6-7-18(19)20(25)24(14)13-15-8-10-23(11-9-15)17-4-2-3-5-17/h6-7,12,15,17H,2-5,8-11,13H2,1H3
InChIKeyJCMHINNXWGUFSF-UHFFFAOYSA-N
XLogP3.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one?
The IUPAC name of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one (CID 146078319) is 3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one is Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(C2CCCC2)CC1.
What is the InChIKey of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one?
The InChIKey is JCMHINNXWGUFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-14-22-19-12-16(21)6-7-18(19)20(25)24(14)13-15-8-10-23(11-9-15)17-4-2-3-5-17/h6-7,12,15,17H,2-5,8-11,13H2,1H3.
What are the key properties of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one?
3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one has a molecular weight of 343.45 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-7-fluoro-2-methylquinazolin-4-one is sourced from PubChem (CID 146078319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).