1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one

C25H24ClN3O2 — CID 59655017

IUPAC1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one
SMILESCc1cc(-c2c(N3CCCCC3)c3cc(Cl)ccc3n(Cc3ccccc3)c2=O)on1
InChIInChI=1S/C25H24ClN3O2/c1-17-14-22(31-27-17)23-24(28-12-6-3-7-13-28)20-15-19(26)10-11-21(20)29(25(23)30)16-18-8-4-2-5-9-18/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3
InChIKeyMYKYMKIIYMNZFT-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.66
Rot. Bonds4

About 1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one

1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one (PubChem CID 59655017) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is 1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one
PubChem CID59655017
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one
SMILESCc1cc(-c2c(N3CCCCC3)c3cc(Cl)ccc3n(Cc3ccccc3)c2=O)on1
InChIInChI=1S/C25H24ClN3O2/c1-17-14-22(31-27-17)23-24(28-12-6-3-7-13-28)20-15-19(26)10-11-21(20)29(25(23)30)16-18-8-4-2-5-9-18/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3
InChIKeyMYKYMKIIYMNZFT-UHFFFAOYSA-N
XLogP5.66
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one with MolForge

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Related Compounds

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1-benzyl-3-piperidin-1-ylquinoxalin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one?
The IUPAC name of 1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one (CID 59655017) is 1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one.
What is the SMILES notation for 1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one?
The canonical SMILES for 1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one is Cc1cc(-c2c(N3CCCCC3)c3cc(Cl)ccc3n(Cc3ccccc3)c2=O)on1.
What is the InChIKey of 1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one?
The InChIKey is MYKYMKIIYMNZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-17-14-22(31-27-17)23-24(28-12-6-3-7-13-28)20-15-19(26)10-11-21(20)29(25(23)30)16-18-8-4-2-5-9-18/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3.
What are the key properties of 1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one?
1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one has a molecular weight of 433.94 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-piperidin-1-ylquinolin-2-one is sourced from PubChem (CID 59655017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).