1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one

C15H21N3O — CID 62374390

IUPAC1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one
SMILESCCNC(C)CCn1c(=O)c(C)nc2ccccc21
InChIInChI=1S/C15H21N3O/c1-4-16-11(2)9-10-18-14-8-6-5-7-13(14)17-12(3)15(18)19/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyUOFBLLUNTHUHMX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.09
Rot. Bonds5

About 1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one

1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one (PubChem CID 62374390) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one
PubChem CID62374390
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one
SMILESCCNC(C)CCn1c(=O)c(C)nc2ccccc21
InChIInChI=1S/C15H21N3O/c1-4-16-11(2)9-10-18-14-8-6-5-7-13(14)17-12(3)15(18)19/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyUOFBLLUNTHUHMX-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.09
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-(5-hydroxyhexyl)-3-methylquinoxalin-2-one
CID 55067815
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one
CID 62374695
1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one
CID 62374705
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one
CID 66221507
5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide
CID 63578367
N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 92869667
1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one
CID 63915051

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one?
The IUPAC name of 1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one (CID 62374390) is 1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one?
The canonical SMILES for 1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one is CCNC(C)CCn1c(=O)c(C)nc2ccccc21.
What is the InChIKey of 1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one?
The InChIKey is UOFBLLUNTHUHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-16-11(2)9-10-18-14-8-6-5-7-13(14)17-12(3)15(18)19/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of 1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one?
1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one is sourced from PubChem (CID 62374390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).