3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one

C19H26N4O2 — CID 91951068

IUPAC3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one
SMILESCC1CCCCN1C(=O)CCn1c(=O)c(N(C)C)nc2ccccc21
InChIInChI=1S/C19H26N4O2/c1-14-8-6-7-12-22(14)17(24)11-13-23-16-10-5-4-9-15(16)20-18(19(23)25)21(2)3/h4-5,9-10,14H,6-8,11-13H2,1-3H3
InChIKeyUTSGLFYHVOMSPP-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.25
Rot. Bonds4

About 3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one

3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one (PubChem CID 91951068) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one
PubChem CID91951068
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one
SMILESCC1CCCCN1C(=O)CCn1c(=O)c(N(C)C)nc2ccccc21
InChIInChI=1S/C19H26N4O2/c1-14-8-6-7-12-22(14)17(24)11-13-23-16-10-5-4-9-15(16)20-18(19(23)25)21(2)3/h4-5,9-10,14H,6-8,11-13H2,1-3H3
InChIKeyUTSGLFYHVOMSPP-UHFFFAOYSA-N
XLogP2.25
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanoyl]piperidin-4-yl]carbamate
CID 91951145
N-butan-2-yl-3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]propanamide
CID 91951115
3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one
CID 91951087
2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 40823641
3-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95577677
1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17002359
3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99947323
1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951447
2-(1-benzylbenzimidazol-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1470368
2-[2-(benzylamino)benzimidazol-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 9119343
2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 17000859
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 16997427

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one?
The IUPAC name of 3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one (CID 91951068) is 3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one.
What is the SMILES notation for 3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one?
The canonical SMILES for 3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one is CC1CCCCN1C(=O)CCn1c(=O)c(N(C)C)nc2ccccc21.
What is the InChIKey of 3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one?
The InChIKey is UTSGLFYHVOMSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-8-6-7-12-22(14)17(24)11-13-23-16-10-5-4-9-15(16)20-18(19(23)25)21(2)3/h4-5,9-10,14H,6-8,11-13H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one?
3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one is sourced from PubChem (CID 91951068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).