1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

C20H21N3O2 — CID 71533333

IUPAC1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cncc(CN4CCCC4=O)c3)ccc21
InChIInChI=1S/C20H21N3O2/c1-22-18-6-4-15(10-16(18)5-7-19(22)24)17-9-14(11-21-12-17)13-23-8-2-3-20(23)25/h4,6,9-12H,2-3,5,7-8,13H2,1H3
InChIKeyYKQLOQJDZRUJAB-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.78
Rot. Bonds3

About 1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 71533333) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID71533333
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cncc(CN4CCCC4=O)c3)ccc21
InChIInChI=1S/C20H21N3O2/c1-22-18-6-4-15(10-16(18)5-7-19(22)24)17-9-14(11-21-12-17)13-23-8-2-3-20(23)25/h4,6,9-12H,2-3,5,7-8,13H2,1H3
InChIKeyYKQLOQJDZRUJAB-UHFFFAOYSA-N
XLogP2.78
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 71533333) is 1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(-c3cncc(CN4CCCC4=O)c3)ccc21.
What is the InChIKey of 1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is YKQLOQJDZRUJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-22-18-6-4-15(10-16(18)5-7-19(22)24)17-9-14(11-21-12-17)13-23-8-2-3-20(23)25/h4,6,9-12H,2-3,5,7-8,13H2,1H3.
What are the key properties of 1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 71533333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).