4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione

C19H27NO4 — CID 156745773

IUPAC4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione
SMILESCCOC1CCC(OCC2C(=O)CCc3ccc(C)c(=O)n32)CC1
InChIInChI=1S/C19H27NO4/c1-3-23-15-7-9-16(10-8-15)24-12-17-18(21)11-6-14-5-4-13(2)19(22)20(14)17/h4-5,15-17H,3,6-12H2,1-2H3
InChIKeySWHAODHNCRGAGT-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.58
Rot. Bonds5

About 4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione

4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione (PubChem CID 156745773) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione.

Molecular Properties

Compound Name4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione
PubChem CID156745773
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione
SMILESCCOC1CCC(OCC2C(=O)CCc3ccc(C)c(=O)n32)CC1
InChIInChI=1S/C19H27NO4/c1-3-23-15-7-9-16(10-8-15)24-12-17-18(21)11-6-14-5-4-13(2)19(22)20(14)17/h4-5,15-17H,3,6-12H2,1-2H3
InChIKeySWHAODHNCRGAGT-UHFFFAOYSA-N
XLogP2.58
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione?
The IUPAC name of 4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione (CID 156745773) is 4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione.
What is the SMILES notation for 4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione?
The canonical SMILES for 4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione is CCOC1CCC(OCC2C(=O)CCc3ccc(C)c(=O)n32)CC1.
What is the InChIKey of 4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione?
The InChIKey is SWHAODHNCRGAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-3-23-15-7-9-16(10-8-15)24-12-17-18(21)11-6-14-5-4-13(2)19(22)20(14)17/h4-5,15-17H,3,6-12H2,1-2H3.
What are the key properties of 4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione?
4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione has a molecular weight of 333.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione is sourced from PubChem (CID 156745773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).