7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one

C25H30N2O — CID 143795992

IUPAC7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one
SMILESCCc1cc2ccc(C(C)N3CCC(Cc4ccccc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C25H30N2O/c1-3-21-16-23-10-9-22(17-24(23)26-25(21)28)18(2)27-13-11-20(12-14-27)15-19-7-5-4-6-8-19/h4-10,16-18,20H,3,11-15H2,1-2H3,(H,26,28)
InChIKeyIANANXVMEZMUCR-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.11
Rot. Bonds5

About 7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one

7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one (PubChem CID 143795992) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one
PubChem CID143795992
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one
SMILESCCc1cc2ccc(C(C)N3CCC(Cc4ccccc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C25H30N2O/c1-3-21-16-23-10-9-22(17-24(23)26-25(21)28)18(2)27-13-11-20(12-14-27)15-19-7-5-4-6-8-19/h4-10,16-18,20H,3,11-15H2,1-2H3,(H,26,28)
InChIKeyIANANXVMEZMUCR-UHFFFAOYSA-N
XLogP5.11
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one?
The IUPAC name of 7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one (CID 143795992) is 7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one.
What is the SMILES notation for 7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one?
The canonical SMILES for 7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one is CCc1cc2ccc(C(C)N3CCC(Cc4ccccc4)CC3)cc2[nH]c1=O.
What is the InChIKey of 7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one?
The InChIKey is IANANXVMEZMUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-3-21-16-23-10-9-22(17-24(23)26-25(21)28)18(2)27-13-11-20(12-14-27)15-19-7-5-4-6-8-19/h4-10,16-18,20H,3,11-15H2,1-2H3,(H,26,28).
What are the key properties of 7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one?
7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one has a molecular weight of 374.53 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one is sourced from PubChem (CID 143795992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).