3-cyclohexyl-4aH-quinazoline-2,4-dione

C14H16N2O2 — CID 78176752

IUPAC3-cyclohexyl-4aH-quinazoline-2,4-dione
SMILESO=C1N=C2C=CC=CC2C(=O)N1C1CCCCC1
InChIInChI=1S/C14H16N2O2/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h4-5,8-11H,1-3,6-7H2
InChIKeyOTINWRFJUXVZCJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.46
Rot. Bonds1

About 3-cyclohexyl-4aH-quinazoline-2,4-dione

3-cyclohexyl-4aH-quinazoline-2,4-dione (PubChem CID 78176752) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-cyclohexyl-4aH-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-4aH-quinazoline-2,4-dione
PubChem CID78176752
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-cyclohexyl-4aH-quinazoline-2,4-dione
SMILESO=C1N=C2C=CC=CC2C(=O)N1C1CCCCC1
InChIInChI=1S/C14H16N2O2/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h4-5,8-11H,1-3,6-7H2
InChIKeyOTINWRFJUXVZCJ-UHFFFAOYSA-N
XLogP2.46
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4aH-quinazoline-2,4-dione?
The IUPAC name of 3-cyclohexyl-4aH-quinazoline-2,4-dione (CID 78176752) is 3-cyclohexyl-4aH-quinazoline-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-4aH-quinazoline-2,4-dione?
The canonical SMILES for 3-cyclohexyl-4aH-quinazoline-2,4-dione is O=C1N=C2C=CC=CC2C(=O)N1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4aH-quinazoline-2,4-dione?
The InChIKey is OTINWRFJUXVZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h4-5,8-11H,1-3,6-7H2.
What are the key properties of 3-cyclohexyl-4aH-quinazoline-2,4-dione?
3-cyclohexyl-4aH-quinazoline-2,4-dione has a molecular weight of 244.29 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4aH-quinazoline-2,4-dione is sourced from PubChem (CID 78176752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).