1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one

C21H27N3O — CID 138042688

IUPAC1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCCc1c(C)nc2ccccc2c1N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C21H27N3O/c1-3-17-15(2)22-19-8-5-4-7-18(19)21(17)23-13-10-16(11-14-23)24-12-6-9-20(24)25/h4-5,7-8,16H,3,6,9-14H2,1-2H3
InChIKeyNHOSGCPECBPINM-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.70
Rot. Bonds3

About 1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 138042688) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID138042688
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCCc1c(C)nc2ccccc2c1N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C21H27N3O/c1-3-17-15(2)22-19-8-5-4-7-18(19)21(17)23-13-10-16(11-14-23)24-12-6-9-20(24)25/h4-5,7-8,16H,3,6,9-14H2,1-2H3
InChIKeyNHOSGCPECBPINM-UHFFFAOYSA-N
XLogP3.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one (CID 138042688) is 1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one is CCc1c(C)nc2ccccc2c1N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is NHOSGCPECBPINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-3-17-15(2)22-19-8-5-4-7-18(19)21(17)23-13-10-16(11-14-23)24-12-6-9-20(24)25/h4-5,7-8,16H,3,6,9-14H2,1-2H3.
What are the key properties of 1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 337.47 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 138042688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).