1-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid

C23H24N2O3 — CID 53321535

IUPAC1-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
SMILESCc1ccc(C2CCN(Cc3cc(C(=O)O)c(=O)n4ccccc34)CC2)cc1
InChIInChI=1S/C23H24N2O3/c1-16-5-7-17(8-6-16)18-9-12-24(13-10-18)15-19-14-20(23(27)28)22(26)25-11-3-2-4-21(19)25/h2-8,11,14,18H,9-10,12-13,15H2,1H3,(H,27,28)
InChIKeyILLAANGOZNKZQG-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.69
Rot. Bonds4

About 1-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid

1-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid (PubChem CID 53321535) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
PubChem CID53321535
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
SMILESCc1ccc(C2CCN(Cc3cc(C(=O)O)c(=O)n4ccccc34)CC2)cc1
InChIInChI=1S/C23H24N2O3/c1-16-5-7-17(8-6-16)18-9-12-24(13-10-18)15-19-14-20(23(27)28)22(26)25-11-3-2-4-21(19)25/h2-8,11,14,18H,9-10,12-13,15H2,1H3,(H,27,28)
InChIKeyILLAANGOZNKZQG-UHFFFAOYSA-N
XLogP3.69
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid (CID 53321535) is 1-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid is Cc1ccc(C2CCN(Cc3cc(C(=O)O)c(=O)n4ccccc34)CC2)cc1.
What is the InChIKey of 1-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is ILLAANGOZNKZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-5-7-17(8-6-16)18-9-12-24(13-10-18)15-19-14-20(23(27)28)22(26)25-11-3-2-4-21(19)25/h2-8,11,14,18H,9-10,12-13,15H2,1H3,(H,27,28).
What are the key properties of 1-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid?
1-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 376.46 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 53321535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).