3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4aH-quinazoline-2,4-dione

C20H26N4O3 — CID 75355127

IUPAC3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4aH-quinazoline-2,4-dione
SMILESO=C(CN1C(=O)N=C2C=CC=CC2C1=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H26N4O3/c25-18(23-12-10-22(11-13-23)15-6-2-1-3-7-15)14-24-19(26)16-8-4-5-9-17(16)21-20(24)27/h4-5,8-9,15-16H,1-3,6-7,10-14H2
InChIKeyABLWDDLAGCKSPP-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.61
Rot. Bonds3

About 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4aH-quinazoline-2,4-dione

3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4aH-quinazoline-2,4-dione (PubChem CID 75355127) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4aH-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4aH-quinazoline-2,4-dione
PubChem CID75355127
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4aH-quinazoline-2,4-dione
SMILESO=C(CN1C(=O)N=C2C=CC=CC2C1=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H26N4O3/c25-18(23-12-10-22(11-13-23)15-6-2-1-3-7-15)14-24-19(26)16-8-4-5-9-17(16)21-20(24)27/h4-5,8-9,15-16H,1-3,6-7,10-14H2
InChIKeyABLWDDLAGCKSPP-UHFFFAOYSA-N
XLogP1.61
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4aH-quinazoline-2,4-dione?
The IUPAC name of 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4aH-quinazoline-2,4-dione (CID 75355127) is 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4aH-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4aH-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4aH-quinazoline-2,4-dione is O=C(CN1C(=O)N=C2C=CC=CC2C1=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4aH-quinazoline-2,4-dione?
The InChIKey is ABLWDDLAGCKSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-18(23-12-10-22(11-13-23)15-6-2-1-3-7-15)14-24-19(26)16-8-4-5-9-17(16)21-20(24)27/h4-5,8-9,15-16H,1-3,6-7,10-14H2.
What are the key properties of 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4aH-quinazoline-2,4-dione?
3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4aH-quinazoline-2,4-dione has a molecular weight of 370.45 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4aH-quinazoline-2,4-dione is sourced from PubChem (CID 75355127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).