4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one

C16H20N2O2 — CID 100815471

IUPAC4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2ccc(C(=O)N3CCCC3)cc21
InChIInChI=1S/C16H20N2O2/c1-16(2)10-14(19)17-13-6-5-11(9-12(13)16)15(20)18-7-3-4-8-18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyNHAIEWRVARPXEA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.54
Rot. Bonds1

About 4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one

4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one (PubChem CID 100815471) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one
PubChem CID100815471
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one
SMILESCC1(C)CC(=O)Nc2ccc(C(=O)N3CCCC3)cc21
InChIInChI=1S/C16H20N2O2/c1-16(2)10-14(19)17-13-6-5-11(9-12(13)16)15(20)18-7-3-4-8-18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyNHAIEWRVARPXEA-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-6-(morpholine-4-carbonyl)-1,3-dihydroquinolin-2-one
CID 91946268
4,4-dimethyl-6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1,3-dihydroquinolin-2-one
CID 91946432
5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103878855
6-(4-ethyl-4-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102712356
4-(3,3-dimethyl-2-oxo-1H-indole-5-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812671
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide
CID 91954522
pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 96599561
N-[[3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 166380327
5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110809888
5-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110810080
5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711671
6-amino-4,4-dimethyl-1,3-dihydroquinolin-2-one;hydrochloride
CID 131637567

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one?
The IUPAC name of 4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one (CID 100815471) is 4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one?
The canonical SMILES for 4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one is CC1(C)CC(=O)Nc2ccc(C(=O)N3CCCC3)cc21.
What is the InChIKey of 4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one?
The InChIKey is NHAIEWRVARPXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2)10-14(19)17-13-6-5-11(9-12(13)16)15(20)18-7-3-4-8-18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one?
4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 100815471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).