3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione

C20H29N3O2 — CID 118576530

IUPAC3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione
SMILESCCNc1ccc2c(c1)c(=O)n(CCC1CCCCC1)c(=O)n2CC
InChIInChI=1S/C20H29N3O2/c1-3-21-16-10-11-18-17(14-16)19(24)23(20(25)22(18)4-2)13-12-15-8-6-5-7-9-15/h10-11,14-15,21H,3-9,12-13H2,1-2H3
InChIKeyDRTYXDKHJGFIDF-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.59
Rot. Bonds6

About 3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione

3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione (PubChem CID 118576530) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione
PubChem CID118576530
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione
SMILESCCNc1ccc2c(c1)c(=O)n(CCC1CCCCC1)c(=O)n2CC
InChIInChI=1S/C20H29N3O2/c1-3-21-16-10-11-18-17(14-16)19(24)23(20(25)22(18)4-2)13-12-15-8-6-5-7-9-15/h10-11,14-15,21H,3-9,12-13H2,1-2H3
InChIKeyDRTYXDKHJGFIDF-UHFFFAOYSA-N
XLogP3.59
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione?
The IUPAC name of 3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione (CID 118576530) is 3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione?
The canonical SMILES for 3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione is CCNc1ccc2c(c1)c(=O)n(CCC1CCCCC1)c(=O)n2CC.
What is the InChIKey of 3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione?
The InChIKey is DRTYXDKHJGFIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-21-16-10-11-18-17(14-16)19(24)23(20(25)22(18)4-2)13-12-15-8-6-5-7-9-15/h10-11,14-15,21H,3-9,12-13H2,1-2H3.
What are the key properties of 3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione?
3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione has a molecular weight of 343.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione is sourced from PubChem (CID 118576530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).