2-[4-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one

C22H21ClN2O3 — CID 11567443

IUPAC2-[4-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2cc(O)ccc2[nH]1)N1CCC(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H21ClN2O3/c23-16-3-1-14(2-4-16)11-15-7-9-25(10-8-15)22(28)20-13-21(27)18-12-17(26)5-6-19(18)24-20/h1-6,12-13,15,26H,7-11H2,(H,24,27)
InChIKeyNOZNBDRZICFUMG-UHFFFAOYSA-N
MW396.87 g/mol
LogP3.98
Rot. Bonds3

About 2-[4-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one

2-[4-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one (PubChem CID 11567443) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one
PubChem CID11567443
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name2-[4-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2cc(O)ccc2[nH]1)N1CCC(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H21ClN2O3/c23-16-3-1-14(2-4-16)11-15-7-9-25(10-8-15)22(28)20-13-21(27)18-12-17(26)5-6-19(18)24-20/h1-6,12-13,15,26H,7-11H2,(H,24,27)
InChIKeyNOZNBDRZICFUMG-UHFFFAOYSA-N
XLogP3.98
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one (CID 11567443) is 2-[4-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one is O=C(c1cc(=O)c2cc(O)ccc2[nH]1)N1CCC(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one?
The InChIKey is NOZNBDRZICFUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c23-16-3-1-14(2-4-16)11-15-7-9-25(10-8-15)22(28)20-13-21(27)18-12-17(26)5-6-19(18)24-20/h1-6,12-13,15,26H,7-11H2,(H,24,27).
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one?
2-[4-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one has a molecular weight of 396.87 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one is sourced from PubChem (CID 11567443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).