1-[2-(3-methylanilino)ethyl]quinoxalin-2-one

C17H17N3O — CID 62564206

IUPAC1-[2-(3-methylanilino)ethyl]quinoxalin-2-one
SMILESCc1cccc(NCCn2c(=O)cnc3ccccc32)c1
InChIInChI=1S/C17H17N3O/c1-13-5-4-6-14(11-13)18-9-10-20-16-8-3-2-7-15(16)19-12-17(20)21/h2-8,11-12,18H,9-10H2,1H3
InChIKeyQXRHSNPCHFQROJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.82
Rot. Bonds4

About 1-[2-(3-methylanilino)ethyl]quinoxalin-2-one

1-[2-(3-methylanilino)ethyl]quinoxalin-2-one (PubChem CID 62564206) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[2-(3-methylanilino)ethyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(3-methylanilino)ethyl]quinoxalin-2-one
PubChem CID62564206
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-[2-(3-methylanilino)ethyl]quinoxalin-2-one
SMILESCc1cccc(NCCn2c(=O)cnc3ccccc32)c1
InChIInChI=1S/C17H17N3O/c1-13-5-4-6-14(11-13)18-9-10-20-16-8-3-2-7-15(16)19-12-17(20)21/h2-8,11-12,18H,9-10H2,1H3
InChIKeyQXRHSNPCHFQROJ-UHFFFAOYSA-N
XLogP2.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylanilino)ethyl]quinoxalin-2-one
CID 62564379
1-[2-(2-methylanilino)ethyl]quinoxalin-2-one
CID 62562651
N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline
CID 63106920
1-[2-(ethylamino)ethyl]quinoxalin-2-one
CID 61387622
1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one
CID 61387624
1-[4-(ethylamino)butyl]quinoxalin-2-one
CID 62562828
1-[2-(cyclopentylamino)ethyl]quinoxalin-2-one
CID 62562653
1-(fluoromethyl)quinoxalin-2-one
CID 140968709
1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one
CID 62562469
1-[2-(3-methylanilino)ethyl]quinolin-4-one
CID 62565332
5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one
CID 176909803
methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate
CID 79629951

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylanilino)ethyl]quinoxalin-2-one?
The IUPAC name of 1-[2-(3-methylanilino)ethyl]quinoxalin-2-one (CID 62564206) is 1-[2-(3-methylanilino)ethyl]quinoxalin-2-one.
What is the SMILES notation for 1-[2-(3-methylanilino)ethyl]quinoxalin-2-one?
The canonical SMILES for 1-[2-(3-methylanilino)ethyl]quinoxalin-2-one is Cc1cccc(NCCn2c(=O)cnc3ccccc32)c1.
What is the InChIKey of 1-[2-(3-methylanilino)ethyl]quinoxalin-2-one?
The InChIKey is QXRHSNPCHFQROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-5-4-6-14(11-13)18-9-10-20-16-8-3-2-7-15(16)19-12-17(20)21/h2-8,11-12,18H,9-10H2,1H3.
What are the key properties of 1-[2-(3-methylanilino)ethyl]quinoxalin-2-one?
1-[2-(3-methylanilino)ethyl]quinoxalin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylanilino)ethyl]quinoxalin-2-one is sourced from PubChem (CID 62564206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).