3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one

C16H23N3O — CID 62567165

IUPAC3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one
SMILESCCC(CC)NCCn1c(=O)c(C)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-4-13(5-2)17-10-11-19-15-9-7-6-8-14(15)18-12(3)16(19)20/h6-9,13,17H,4-5,10-11H2,1-3H3
InChIKeyZCJYDEPHMWCHFP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.48
Rot. Bonds6

About 3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one

3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one (PubChem CID 62567165) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one
PubChem CID62567165
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one
SMILESCCC(CC)NCCn1c(=O)c(C)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-4-13(5-2)17-10-11-19-15-9-7-6-8-14(15)18-12(3)16(19)20/h6-9,13,17H,4-5,10-11H2,1-3H3
InChIKeyZCJYDEPHMWCHFP-UHFFFAOYSA-N
XLogP2.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one
CID 62374695
1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one
CID 62374390
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one
CID 55067815
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one
CID 66221507
1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one
CID 62374705
5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide
CID 63578367
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324347
N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324332

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one?
The IUPAC name of 3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one (CID 62567165) is 3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one.
What is the SMILES notation for 3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one?
The canonical SMILES for 3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one is CCC(CC)NCCn1c(=O)c(C)nc2ccccc21.
What is the InChIKey of 3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one?
The InChIKey is ZCJYDEPHMWCHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-13(5-2)17-10-11-19-15-9-7-6-8-14(15)18-12(3)16(19)20/h6-9,13,17H,4-5,10-11H2,1-3H3.
What are the key properties of 3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one?
3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one is sourced from PubChem (CID 62567165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).