4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one

C19H18N2O4 — CID 110742163

IUPAC4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one
SMILESCC(C)N1C(=O)CN(C(=O)c2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C19H18N2O4/c1-12(2)21-15-6-4-3-5-14(15)20(10-18(21)22)19(23)13-7-8-16-17(9-13)25-11-24-16/h3-9,12H,10-11H2,1-2H3
InChIKeyMVIPNJIHQKODLQ-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.82
Rot. Bonds2

About 4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one

4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one (PubChem CID 110742163) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one
PubChem CID110742163
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one
SMILESCC(C)N1C(=O)CN(C(=O)c2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C19H18N2O4/c1-12(2)21-15-6-4-3-5-14(15)20(10-18(21)22)19(23)13-7-8-16-17(9-13)25-11-24-16/h3-9,12H,10-11H2,1-2H3
InChIKeyMVIPNJIHQKODLQ-UHFFFAOYSA-N
XLogP2.82
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4-(1,3-benzodioxole-5-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079482
1,3-benzodioxol-5-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 37299966
1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110602501
1,3-benzodioxol-5-yl-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076112
1-[11-(1,3-benzodioxole-5-carbonyl)-2,11-diazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]ethanone
CID 133073560
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863954
1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione
CID 154718540
1,3-benzodioxol-5-yl-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 110361578
1,3-benzodioxol-5-yl(indol-1-yl)methanone
CID 11129204
1,3-benzodioxol-5-yl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 134788189
1,3-benzodioxol-5-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162634923
1,3-benzodioxol-5-yl-[4-[(1S)-1-cyclopropylethyl]piperazin-1-yl]methanone
CID 129370589

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one?
The IUPAC name of 4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one (CID 110742163) is 4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one.
What is the SMILES notation for 4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one?
The canonical SMILES for 4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one is CC(C)N1C(=O)CN(C(=O)c2ccc3c(c2)OCO3)c2ccccc21.
What is the InChIKey of 4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one?
The InChIKey is MVIPNJIHQKODLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12(2)21-15-6-4-3-5-14(15)20(10-18(21)22)19(23)13-7-8-16-17(9-13)25-11-24-16/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one?
4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one has a molecular weight of 338.36 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one is sourced from PubChem (CID 110742163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).