3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one

C13H17N3O — CID 177485359

IUPAC3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one
SMILESCC(C)C(C)Nc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C13H17N3O/c1-8(2)9(3)14-12-13(17)16-11-7-5-4-6-10(11)15-12/h4-9H,1-3H3,(H,14,15)(H,16,17)
InChIKeyHIMFDBXFKLHPOP-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.38
Rot. Bonds3

About 3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one

3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one (PubChem CID 177485359) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one
PubChem CID177485359
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one
SMILESCC(C)C(C)Nc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C13H17N3O/c1-8(2)9(3)14-12-13(17)16-11-7-5-4-6-10(11)15-12/h4-9H,1-3H3,(H,14,15)(H,16,17)
InChIKeyHIMFDBXFKLHPOP-UHFFFAOYSA-N
XLogP2.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(propylamino)-1H-quinoxalin-2-one
CID 167442718
N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide
CID 166991964
3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one
CID 47000996
3-[(4-methylanilino)-phenylmethyl]-1H-quinoxalin-2-one
CID 3524572
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474627
3-[bis(2-methylpropyl)phosphoryl]-1H-quinoxalin-2-one
CID 132601229
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136851168
2-propan-2-yl-1H-benzimidazole
CID 22121
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
(2R)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541904
(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541903
3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 3850152

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one?
The IUPAC name of 3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one (CID 177485359) is 3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one is CC(C)C(C)Nc1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one?
The InChIKey is HIMFDBXFKLHPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(2)9(3)14-12-13(17)16-11-7-5-4-6-10(11)15-12/h4-9H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one?
3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one is sourced from PubChem (CID 177485359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).