Ketanserin

Name: Ketanserin — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₂₂FN₃O₃ — CID 3822

💊View drug profile → ketanserin

Data last refreshed: 2026-04-14 (MolForge compound catalog, from PubChem)

IUPAC3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione

SMILESO=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1

InChIInChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)

InChIKeyFPCCSQOGAWCVBH-UHFFFAOYSA-N

MW395.43 g/mol

LogP2.42

Rot. Bonds5

About Ketanserin

Ketanserin (PubChem CID 3822) has the molecular formula C₂₂H₂₂FN₃O₃ and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name	Ketanserin
PubChem CID	3822
Molecular Formula	C₂₂H₂₂FN₃O₃
Molecular Weight	395.43 g/mol
Exact Mass	395.16
IUPAC Name	3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
SMILES	O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
InChI	InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
InChIKey	FPCCSQOGAWCVBH-UHFFFAOYSA-N
XLogP	2.42
TPSA	75.17 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.43
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Ketanserin?

The IUPAC name of Ketanserin (CID 3822) is 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione.

What is the SMILES notation for Ketanserin?

The canonical SMILES for Ketanserin is O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1.

What is the InChIKey of Ketanserin?

The InChIKey is FPCCSQOGAWCVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29).

What are the key properties of Ketanserin?

Ketanserin has a molecular weight of 395.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Ketanserin is sourced from PubChem (CID 3822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: K · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 3822 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 1524 — approved-drug record (CC BY-SA 4.0)

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