3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one

C14H19N3O — CID 62374695

IUPAC3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one
SMILESCCC(Cn1c(=O)c(C)nc2ccccc21)NC
InChIInChI=1S/C14H19N3O/c1-4-11(15-3)9-17-13-8-6-5-7-12(13)16-10(2)14(17)18/h5-8,11,15H,4,9H2,1-3H3
InChIKeyABIFGMCAHNJAQW-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.70
Rot. Bonds4

About 3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one

3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one (PubChem CID 62374695) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one
PubChem CID62374695
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one
SMILESCCC(Cn1c(=O)c(C)nc2ccccc21)NC
InChIInChI=1S/C14H19N3O/c1-4-11(15-3)9-17-13-8-6-5-7-12(13)16-10(2)14(17)18/h5-8,11,15H,4,9H2,1-3H3
InChIKeyABIFGMCAHNJAQW-UHFFFAOYSA-N
XLogP1.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one
CID 62567165
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one
CID 66221507
1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one
CID 62374705
1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one
CID 63915051
1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one
CID 62374390
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
methyl 2-ethyl-4-(3-methyl-2-oxoquinoxalin-1-yl)but-2-enoate
CID 77101731
2-ethyl-4-(3-methyl-2-oxoquinoxalin-1-yl)but-2-enoic acid
CID 77101730

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one?
The IUPAC name of 3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one (CID 62374695) is 3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one.
What is the SMILES notation for 3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one?
The canonical SMILES for 3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one is CCC(Cn1c(=O)c(C)nc2ccccc21)NC.
What is the InChIKey of 3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one?
The InChIKey is ABIFGMCAHNJAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-11(15-3)9-17-13-8-6-5-7-12(13)16-10(2)14(17)18/h5-8,11,15H,4,9H2,1-3H3.
What are the key properties of 3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one?
3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one is sourced from PubChem (CID 62374695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).