4-oxo-1-[(4-phenylphenyl)methyl]quinolizine-3-carboxylic acid

C23H17NO3 — CID 45279721

IUPAC4-oxo-1-[(4-phenylphenyl)methyl]quinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(Cc2ccc(-c3ccccc3)cc2)c2ccccn2c1=O
InChIInChI=1S/C23H17NO3/c25-22-20(23(26)27)15-19(21-8-4-5-13-24(21)22)14-16-9-11-18(12-10-16)17-6-2-1-3-7-17/h1-13,15H,14H2,(H,26,27)
InChIKeyNUXVNVZWZKPGFI-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.26
Rot. Bonds4

About 4-oxo-1-[(4-phenylphenyl)methyl]quinolizine-3-carboxylic acid

4-oxo-1-[(4-phenylphenyl)methyl]quinolizine-3-carboxylic acid (PubChem CID 45279721) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-oxo-1-[(4-phenylphenyl)methyl]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-[(4-phenylphenyl)methyl]quinolizine-3-carboxylic acid
PubChem CID45279721
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name4-oxo-1-[(4-phenylphenyl)methyl]quinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(Cc2ccc(-c3ccccc3)cc2)c2ccccn2c1=O
InChIInChI=1S/C23H17NO3/c25-22-20(23(26)27)15-19(21-8-4-5-13-24(21)22)14-16-9-11-18(12-10-16)17-6-2-1-3-7-17/h1-13,15H,14H2,(H,26,27)
InChIKeyNUXVNVZWZKPGFI-UHFFFAOYSA-N
XLogP4.26
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-oxoquinolizine-3-carboxylic acid
CID 14600462
1-[(4-Cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid
CID 25263944
1-[[4-Cyano-4-(3-fluorophenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 25264753
4-Oxo-1-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]quinolizine-3-carboxylic acid
CID 44178084
4-Oxo-1-[(6-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4H-quinolizine-3-carboxylic acid
CID 53318822
1-[[4-Cyano-4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 25263945
1-[[4-Cyano-4-(2-fluorophenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 25263947
1-[[4-Cyano-4-(3-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 25263949
1-[[4-Cyano-4-(2-methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 25264070
1-[[4-(4-Methylphenyl)piperidin-1-yl]methyl]-4-oxoquinolizine-3-carboxylic acid
CID 53321535
4-oxo-1-[(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]quinolizine-3-carboxylic acid
CID 53322868
1-[(6-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-oxo-4H-quinolizine-3-carboxylic acid
CID 53322866

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[(4-phenylphenyl)methyl]quinolizine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-[(4-phenylphenyl)methyl]quinolizine-3-carboxylic acid (CID 45279721) is 4-oxo-1-[(4-phenylphenyl)methyl]quinolizine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-[(4-phenylphenyl)methyl]quinolizine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-[(4-phenylphenyl)methyl]quinolizine-3-carboxylic acid is O=C(O)c1cc(Cc2ccc(-c3ccccc3)cc2)c2ccccn2c1=O.
What is the InChIKey of 4-oxo-1-[(4-phenylphenyl)methyl]quinolizine-3-carboxylic acid?
The InChIKey is NUXVNVZWZKPGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c25-22-20(23(26)27)15-19(21-8-4-5-13-24(21)22)14-16-9-11-18(12-10-16)17-6-2-1-3-7-17/h1-13,15H,14H2,(H,26,27).
What are the key properties of 4-oxo-1-[(4-phenylphenyl)methyl]quinolizine-3-carboxylic acid?
4-oxo-1-[(4-phenylphenyl)methyl]quinolizine-3-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[(4-phenylphenyl)methyl]quinolizine-3-carboxylic acid is sourced from PubChem (CID 45279721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).