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

C22H22N2O4 — CID 11710609

IUPAC6-hydroxy-2-[4-(4-methylphenoxy)piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESCc1ccc(OC2CCN(C(=O)c3cc(=O)c4cc(O)ccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H22N2O4/c1-14-2-5-16(6-3-14)28-17-8-10-24(11-9-17)22(27)20-13-21(26)18-12-15(25)4-7-19(18)23-20/h2-7,12-13,17,25H,8-11H2,1H3,(H,23,26)
InChIKeyXNCXZLFRTYDNRY-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.23
Rot. Bonds3

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

6-hydroxy-2-[4-(4-methylphenoxy)piperidine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 11710609) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-hydroxy-2-[4-(4-methylphenoxy)piperidine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-[4-(4-methylphenoxy)piperidine-1-carbonyl]-1H-quinolin-4-one
PubChem CID11710609
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name6-hydroxy-2-[4-(4-methylphenoxy)piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESCc1ccc(OC2CCN(C(=O)c3cc(=O)c4cc(O)ccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H22N2O4/c1-14-2-5-16(6-3-14)28-17-8-10-24(11-9-17)22(27)20-13-21(26)18-12-15(25)4-7-19(18)23-20/h2-7,12-13,17,25H,8-11H2,1H3,(H,23,26)
InChIKeyXNCXZLFRTYDNRY-UHFFFAOYSA-N
XLogP3.23
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[4-(4-methylphenoxy)piperidine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 6-hydroxy-2-[4-(4-methylphenoxy)piperidine-1-carbonyl]-1H-quinolin-4-one (CID 11710609) is 6-hydroxy-2-[4-(4-methylphenoxy)piperidine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-hydroxy-2-[4-(4-methylphenoxy)piperidine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 6-hydroxy-2-[4-(4-methylphenoxy)piperidine-1-carbonyl]-1H-quinolin-4-one is Cc1ccc(OC2CCN(C(=O)c3cc(=O)c4cc(O)ccc4[nH]3)CC2)cc1.
What is the InChIKey of 6-hydroxy-2-[4-(4-methylphenoxy)piperidine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is XNCXZLFRTYDNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14-2-5-16(6-3-14)28-17-8-10-24(11-9-17)22(27)20-13-21(26)18-12-15(25)4-7-19(18)23-20/h2-7,12-13,17,25H,8-11H2,1H3,(H,23,26).
What are the key properties of 6-hydroxy-2-[4-(4-methylphenoxy)piperidine-1-carbonyl]-1H-quinolin-4-one?
6-hydroxy-2-[4-(4-methylphenoxy)piperidine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 378.43 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[4-(4-methylphenoxy)piperidine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 11710609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).