3-(propylamino)-1H-quinoxalin-2-one

C11H13N3O — CID 167442718

IUPAC3-(propylamino)-1H-quinoxalin-2-one
SMILESCCCNc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C11H13N3O/c1-2-7-12-10-11(15)14-9-6-4-3-5-8(9)13-10/h3-6H,2,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyCUZWPJIMKKMNAY-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.75
Rot. Bonds3

About 3-(propylamino)-1H-quinoxalin-2-one

3-(propylamino)-1H-quinoxalin-2-one (PubChem CID 167442718) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-(propylamino)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(propylamino)-1H-quinoxalin-2-one
PubChem CID167442718
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-(propylamino)-1H-quinoxalin-2-one
SMILESCCCNc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C11H13N3O/c1-2-7-12-10-11(15)14-9-6-4-3-5-8(9)13-10/h3-6H,2,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyCUZWPJIMKKMNAY-UHFFFAOYSA-N
XLogP1.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one
CID 47000996
3-(3-methylbutan-2-ylamino)-1H-quinoxalin-2-one
CID 177485359
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
N-(3-oxo-4H-quinoxalin-2-yl)benzenesulfinamide
CID 166991964
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
CID 47120671
N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 10444556
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
(1H-benzimidazol-2-ylamino)methylphosphonic acid
CID 57013853

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-1H-quinoxalin-2-one?
The IUPAC name of 3-(propylamino)-1H-quinoxalin-2-one (CID 167442718) is 3-(propylamino)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(propylamino)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(propylamino)-1H-quinoxalin-2-one is CCCNc1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(propylamino)-1H-quinoxalin-2-one?
The InChIKey is CUZWPJIMKKMNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-7-12-10-11(15)14-9-6-4-3-5-8(9)13-10/h3-6H,2,7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-(propylamino)-1H-quinoxalin-2-one?
3-(propylamino)-1H-quinoxalin-2-one has a molecular weight of 203.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-1H-quinoxalin-2-one is sourced from PubChem (CID 167442718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).