1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one

C15H17ClN2O — CID 67869814

IUPAC1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one
SMILESCC1(C)C=C(N2CCCC2=O)c2cccc(Cl)c2N1
InChIInChI=1S/C15H17ClN2O/c1-15(2)9-12(18-8-4-7-13(18)19)10-5-3-6-11(16)14(10)17-15/h3,5-6,9,17H,4,7-8H2,1-2H3
InChIKeyCIFUIFXVVXQQGG-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.51
Rot. Bonds1

About 1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one

1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one (PubChem CID 67869814) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one
PubChem CID67869814
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one
SMILESCC1(C)C=C(N2CCCC2=O)c2cccc(Cl)c2N1
InChIInChI=1S/C15H17ClN2O/c1-15(2)9-12(18-8-4-7-13(18)19)10-5-3-6-11(16)14(10)17-15/h3,5-6,9,17H,4,7-8H2,1-2H3
InChIKeyCIFUIFXVVXQQGG-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one (CID 67869814) is 1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one is CC1(C)C=C(N2CCCC2=O)c2cccc(Cl)c2N1.
What is the InChIKey of 1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one?
The InChIKey is CIFUIFXVVXQQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-15(2)9-12(18-8-4-7-13(18)19)10-5-3-6-11(16)14(10)17-15/h3,5-6,9,17H,4,7-8H2,1-2H3.
What are the key properties of 1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one?
1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one has a molecular weight of 276.77 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 67869814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).