8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one

C18H21N3O2 — CID 169419497

IUPAC8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(C2CC(=O)Nc3c2ccc(N2CCCC2)c3C)on1
InChIInChI=1S/C18H21N3O2/c1-11-9-16(23-20-11)14-10-17(22)19-18-12(2)15(6-5-13(14)18)21-7-3-4-8-21/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,19,22)
InChIKeyKEBDGRORWSJEBW-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.37
Rot. Bonds2

About 8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one

8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 169419497) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID169419497
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(C2CC(=O)Nc3c2ccc(N2CCCC2)c3C)on1
InChIInChI=1S/C18H21N3O2/c1-11-9-16(23-20-11)14-10-17(22)19-18-12(2)15(6-5-13(14)18)21-7-3-4-8-21/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,19,22)
InChIKeyKEBDGRORWSJEBW-UHFFFAOYSA-N
XLogP3.37
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one (CID 169419497) is 8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one is Cc1cc(C2CC(=O)Nc3c2ccc(N2CCCC2)c3C)on1.
What is the InChIKey of 8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KEBDGRORWSJEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-9-16(23-20-11)14-10-17(22)19-18-12(2)15(6-5-13(14)18)21-7-3-4-8-21/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,19,22).
What are the key properties of 8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 311.39 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 169419497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).