3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide

C24H28N4O3 — CID 53129397

IUPAC3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCc1nc2ccccc2n(CC(=O)N(C)c2ccccc2)c1=O
InChIInChI=1S/C24H28N4O3/c1-17(2)15-25-22(29)14-13-20-24(31)28(21-12-8-7-11-19(21)26-20)16-23(30)27(3)18-9-5-4-6-10-18/h4-12,17H,13-16H2,1-3H3,(H,25,29)
InChIKeySKCQLJMMZQMQAV-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.76
Rot. Bonds8

About 3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide

3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide (PubChem CID 53129397) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
PubChem CID53129397
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCc1nc2ccccc2n(CC(=O)N(C)c2ccccc2)c1=O
InChIInChI=1S/C24H28N4O3/c1-17(2)15-25-22(29)14-13-20-24(31)28(21-12-8-7-11-19(21)26-20)16-23(30)27(3)18-9-5-4-6-10-18/h4-12,17H,13-16H2,1-3H3,(H,25,29)
InChIKeySKCQLJMMZQMQAV-UHFFFAOYSA-N
XLogP2.76
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129384
3-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129425
3-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129394
3-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129392
3-[4-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129376
3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129400
3-[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129414
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16969289
N-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide
CID 53129358
N-methyl-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 16998881
N-ethyl-3-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 53129237
2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16995539

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide (CID 53129397) is 3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCc1nc2ccccc2n(CC(=O)N(C)c2ccccc2)c1=O.
What is the InChIKey of 3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is SKCQLJMMZQMQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17(2)15-25-22(29)14-13-20-24(31)28(21-12-8-7-11-19(21)26-20)16-23(30)27(3)18-9-5-4-6-10-18/h4-12,17H,13-16H2,1-3H3,(H,25,29).
What are the key properties of 3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide?
3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 420.51 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(N-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 53129397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).