6-chloro-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one

C21H21ClN2O — CID 1332889

IUPAC6-chloro-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1CN1CCCCC1
InChIInChI=1S/C21H21ClN2O/c22-16-9-10-19-17(13-16)20(15-7-3-1-4-8-15)18(21(25)23-19)14-24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,23,25)
InChIKeyPHGKTXOIVHVYHO-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.83
Rot. Bonds3

About 6-chloro-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one

6-chloro-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one (PubChem CID 1332889) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is 6-chloro-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one
PubChem CID1332889
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name6-chloro-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1CN1CCCCC1
InChIInChI=1S/C21H21ClN2O/c22-16-9-10-19-17(13-16)20(15-7-3-1-4-8-15)18(21(25)23-19)14-24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,23,25)
InChIKeyPHGKTXOIVHVYHO-UHFFFAOYSA-N
XLogP4.83
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one (CID 1332889) is 6-chloro-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1CN1CCCCC1.
What is the InChIKey of 6-chloro-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one?
The InChIKey is PHGKTXOIVHVYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c22-16-9-10-19-17(13-16)20(15-7-3-1-4-8-15)18(21(25)23-19)14-24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,23,25).
What are the key properties of 6-chloro-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one?
6-chloro-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one has a molecular weight of 352.87 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one is sourced from PubChem (CID 1332889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).