1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one

C20H23N3O3 — CID 72899750

IUPAC1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
SMILESCc1noc(C)c1C1CCCN1C(=O)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C20H23N3O3/c1-13-20(14(2)26-21-13)17-8-5-11-22(17)19(25)12-23-16-7-4-3-6-15(16)9-10-18(23)24/h3-4,6-7,17H,5,8-12H2,1-2H3
InChIKeyBVTQUNWGUDLLGV-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.93
Rot. Bonds3

About 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one

1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one (PubChem CID 72899750) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
PubChem CID72899750
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
SMILESCc1noc(C)c1C1CCCN1C(=O)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C20H23N3O3/c1-13-20(14(2)26-21-13)17-8-5-11-22(17)19(25)12-23-16-7-4-3-6-15(16)9-10-18(23)24/h3-4,6-7,17H,5,8-12H2,1-2H3
InChIKeyBVTQUNWGUDLLGV-UHFFFAOYSA-N
XLogP2.93
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one (CID 72899750) is 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one is Cc1noc(C)c1C1CCCN1C(=O)CN1C(=O)CCc2ccccc21.
What is the InChIKey of 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is BVTQUNWGUDLLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-20(14(2)26-21-13)17-8-5-11-22(17)19(25)12-23-16-7-4-3-6-15(16)9-10-18(23)24/h3-4,6-7,17H,5,8-12H2,1-2H3.
What are the key properties of 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one?
1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 353.42 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 72899750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).