2-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one

C25H29N3O2 — CID 11567596

IUPAC2-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one
SMILESCn1c(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)nc2ccccc2c1=O
InChIInChI=1S/C25H29N3O2/c1-27-24(26-23-9-5-4-8-22(23)25(27)29)18-10-12-20(13-11-18)30-21-14-16-28(17-15-21)19-6-2-3-7-19/h4-5,8-13,19,21H,2-3,6-7,14-17H2,1H3
InChIKeyGHDVYRGWQMIMIH-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.39
Rot. Bonds4

About 2-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one

2-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one (PubChem CID 11567596) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one
PubChem CID11567596
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one
SMILESCn1c(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)nc2ccccc2c1=O
InChIInChI=1S/C25H29N3O2/c1-27-24(26-23-9-5-4-8-22(23)25(27)29)18-10-12-20(13-11-18)30-21-14-16-28(17-15-21)19-6-2-3-7-19/h4-5,8-13,19,21H,2-3,6-7,14-17H2,1H3
InChIKeyGHDVYRGWQMIMIH-UHFFFAOYSA-N
XLogP4.39
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one (CID 11567596) is 2-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one is Cn1c(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one?
The InChIKey is GHDVYRGWQMIMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-27-24(26-23-9-5-4-8-22(23)25(27)29)18-10-12-20(13-11-18)30-21-14-16-28(17-15-21)19-6-2-3-7-19/h4-5,8-13,19,21H,2-3,6-7,14-17H2,1H3.
What are the key properties of 2-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one?
2-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one has a molecular weight of 403.53 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 11567596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).