methyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate

C22H24N2O3 — CID 169411206

IUPACmethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate
SMILESCOC(=O)c1ccc(C2CC(=O)Nc3c2ccc(N2CCCC2)c3C)cc1
InChIInChI=1S/C22H24N2O3/c1-14-19(24-11-3-4-12-24)10-9-17-18(13-20(25)23-21(14)17)15-5-7-16(8-6-15)22(26)27-2/h5-10,18H,3-4,11-13H2,1-2H3,(H,23,25)
InChIKeyOSWWZUBBELYDCR-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.86
Rot. Bonds3

About methyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate

methyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate (PubChem CID 169411206) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is methyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate
PubChem CID169411206
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Namemethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate
SMILESCOC(=O)c1ccc(C2CC(=O)Nc3c2ccc(N2CCCC2)c3C)cc1
InChIInChI=1S/C22H24N2O3/c1-14-19(24-11-3-4-12-24)10-9-17-18(13-20(25)23-21(14)17)15-5-7-16(8-6-15)22(26)27-2/h5-10,18H,3-4,11-13H2,1-2H3,(H,23,25)
InChIKeyOSWWZUBBELYDCR-UHFFFAOYSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate?
The IUPAC name of methyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate (CID 169411206) is methyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate.
What is the SMILES notation for methyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate?
The canonical SMILES for methyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate is COC(=O)c1ccc(C2CC(=O)Nc3c2ccc(N2CCCC2)c3C)cc1.
What is the InChIKey of methyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate?
The InChIKey is OSWWZUBBELYDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-19(24-11-3-4-12-24)10-9-17-18(13-20(25)23-21(14)17)15-5-7-16(8-6-15)22(26)27-2/h5-10,18H,3-4,11-13H2,1-2H3,(H,23,25).
What are the key properties of methyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate?
methyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate has a molecular weight of 364.45 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate is sourced from PubChem (CID 169411206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).