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

C21H19ClN2O4 — CID 11596444

IUPAC2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2cc(O)ccc2[nH]1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H19ClN2O4/c22-13-1-4-15(5-2-13)28-16-7-9-24(10-8-16)21(27)19-12-20(26)17-11-14(25)3-6-18(17)23-19/h1-6,11-12,16,25H,7-10H2,(H,23,26)
InChIKeySFVDRVNMUZDDKU-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.57
Rot. Bonds3

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

2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one (PubChem CID 11596444) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one
PubChem CID11596444
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC Name2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2cc(O)ccc2[nH]1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H19ClN2O4/c22-13-1-4-15(5-2-13)28-16-7-9-24(10-8-16)21(27)19-12-20(26)17-11-14(25)3-6-18(17)23-19/h1-6,11-12,16,25H,7-10H2,(H,23,26)
InChIKeySFVDRVNMUZDDKU-UHFFFAOYSA-N
XLogP3.57
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one?
The IUPAC name of 2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one (CID 11596444) is 2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one?
The canonical SMILES for 2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one is O=C(c1cc(=O)c2cc(O)ccc2[nH]1)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one?
The InChIKey is SFVDRVNMUZDDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c22-13-1-4-15(5-2-13)28-16-7-9-24(10-8-16)21(27)19-12-20(26)17-11-14(25)3-6-18(17)23-19/h1-6,11-12,16,25H,7-10H2,(H,23,26).
What are the key properties of 2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one?
2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one has a molecular weight of 398.85 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-6-hydroxy-1H-quinolin-4-one is sourced from PubChem (CID 11596444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).