6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one

C14H16N2O3 — CID 167847220

IUPAC6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc2c(c1)N(C(=O)C1CCCO1)CC(=O)N2
InChIInChI=1S/C14H16N2O3/c1-9-4-5-10-11(7-9)16(8-13(17)15-10)14(18)12-3-2-6-19-12/h4-5,7,12H,2-3,6,8H2,1H3,(H,15,17)
InChIKeyHTCRJJXNIUJOIS-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.46
Rot. Bonds1

About 6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one

6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 167847220) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID167847220
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc2c(c1)N(C(=O)C1CCCO1)CC(=O)N2
InChIInChI=1S/C14H16N2O3/c1-9-4-5-10-11(7-9)16(8-13(17)15-10)14(18)12-3-2-6-19-12/h4-5,7,12H,2-3,6,8H2,1H3,(H,15,17)
InChIKeyHTCRJJXNIUJOIS-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 167850019
(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone
CID 110639147
3-methyl-4-(oxolane-2-carbonyl)piperazine-2,6-dione
CID 66063083
3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione
CID 104856137
4-(oxane-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365324
[(2R)-oxan-2-yl]-[8-(oxan-2-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone
CID 154974752
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292
[8-(3-methyl-1,4-dioxan-2-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]-[(2R)-oxan-2-yl]methanone
CID 145094591
4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 139000918
4,4-dimethyl-6-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroquinolin-2-one
CID 91958530
5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
CID 43160614

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 167847220) is 6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one is Cc1ccc2c(c1)N(C(=O)C1CCCO1)CC(=O)N2.
What is the InChIKey of 6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is HTCRJJXNIUJOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-4-5-10-11(7-9)16(8-13(17)15-10)14(18)12-3-2-6-19-12/h4-5,7,12H,2-3,6,8H2,1H3,(H,15,17).
What are the key properties of 6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 260.29 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(oxolane-2-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 167847220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).