7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one

C18H27NO3 — CID 175817683

IUPAC7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCc1ccc2n(c1=O)C(COC1CCC(C)CC1)C(O)CC2
InChIInChI=1S/C18H27NO3/c1-12-3-8-15(9-4-12)22-11-16-17(20)10-7-14-6-5-13(2)18(21)19(14)16/h5-6,12,15-17,20H,3-4,7-11H2,1-2H3
InChIKeyIPVFCCOWCOPKFN-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.60
Rot. Bonds3

About 7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one

7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one (PubChem CID 175817683) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one
PubChem CID175817683
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCc1ccc2n(c1=O)C(COC1CCC(C)CC1)C(O)CC2
InChIInChI=1S/C18H27NO3/c1-12-3-8-15(9-4-12)22-11-16-17(20)10-7-14-6-5-13(2)18(21)19(14)16/h5-6,12,15-17,20H,3-4,7-11H2,1-2H3
InChIKeyIPVFCCOWCOPKFN-UHFFFAOYSA-N
XLogP2.60
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one?
The IUPAC name of 7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one (CID 175817683) is 7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one.
What is the SMILES notation for 7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one?
The canonical SMILES for 7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one is Cc1ccc2n(c1=O)C(COC1CCC(C)CC1)C(O)CC2.
What is the InChIKey of 7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one?
The InChIKey is IPVFCCOWCOPKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-12-3-8-15(9-4-12)22-11-16-17(20)10-7-14-6-5-13(2)18(21)19(14)16/h5-6,12,15-17,20H,3-4,7-11H2,1-2H3.
What are the key properties of 7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one?
7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one has a molecular weight of 305.42 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one is sourced from PubChem (CID 175817683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).