1-(8-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one

C15H19ClN2O2 — CID 57140114

IUPAC1-(8-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one
SMILESCC1(C)Nc2c(Cl)cccc2C(N2CCCC2=O)C1O
InChIInChI=1S/C15H19ClN2O2/c1-15(2)14(20)13(18-8-4-7-11(18)19)9-5-3-6-10(16)12(9)17-15/h3,5-6,13-14,17,20H,4,7-8H2,1-2H3
InChIKeyWQBMHALRJFOVBK-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.57
Rot. Bonds1

About 1-(8-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one

1-(8-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one (PubChem CID 57140114) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(8-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(8-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one
PubChem CID57140114
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-(8-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one
SMILESCC1(C)Nc2c(Cl)cccc2C(N2CCCC2=O)C1O
InChIInChI=1S/C15H19ClN2O2/c1-15(2)14(20)13(18-8-4-7-11(18)19)9-5-3-6-10(16)12(9)17-15/h3,5-6,13-14,17,20H,4,7-8H2,1-2H3
InChIKeyWQBMHALRJFOVBK-UHFFFAOYSA-N
XLogP2.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-(8-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one (CID 57140114) is 1-(8-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(8-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(8-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one is CC1(C)Nc2c(Cl)cccc2C(N2CCCC2=O)C1O.
What is the InChIKey of 1-(8-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one?
The InChIKey is WQBMHALRJFOVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-15(2)14(20)13(18-8-4-7-11(18)19)9-5-3-6-10(16)12(9)17-15/h3,5-6,13-14,17,20H,4,7-8H2,1-2H3.
What are the key properties of 1-(8-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one?
1-(8-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one has a molecular weight of 294.78 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 57140114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).