(2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide

C27H26N4O3 — CID 92901934

IUPAC(2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide
SMILESCCC(=O)Nc1ccccc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2ccccc2C)c1=O
InChIInChI=1S/C27H26N4O3/c1-4-24(32)28-21-14-8-6-12-19(21)25-27(34)31(23-16-10-9-15-22(23)29-25)18(3)26(33)30-20-13-7-5-11-17(20)2/h5-16,18H,4H2,1-3H3,(H,28,32)(H,30,33)/t18-/m0/s1
InChIKeyGEYUXISJYJCCIO-SFHVURJKSA-N
MW454.53 g/mol
LogP4.92
Rot. Bonds6

About (2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide

(2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide (PubChem CID 92901934) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is (2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide
PubChem CID92901934
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name(2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide
SMILESCCC(=O)Nc1ccccc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2ccccc2C)c1=O
InChIInChI=1S/C27H26N4O3/c1-4-24(32)28-21-14-8-6-12-19(21)25-27(34)31(23-16-10-9-15-22(23)29-25)18(3)26(33)30-20-13-7-5-11-17(20)2/h5-16,18H,4H2,1-3H3,(H,28,32)(H,30,33)/t18-/m0/s1
InChIKeyGEYUXISJYJCCIO-SFHVURJKSA-N
XLogP4.92
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2,3-dimethylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]propanamide
CID 92901982
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2-methylphenyl)propanamide
CID 50747281
(2S)-2-[3-[5-ethyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]-N-phenylpropanamide
CID 92901989
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-acetylphenyl)propanamide
CID 20894940
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 50746440
N-(3-ethylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]butanamide
CID 46266247
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 50747268
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 50747295
N-(4-methylphenyl)-2-[3-[5-methyl-2-(propanoylamino)phenyl]-2-oxoquinoxalin-1-yl]butanamide
CID 50747374
N-[2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]phenyl]propanamide
CID 46266252
(2S)-2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-chloro-2-methylphenyl)propanamide
CID 92736195
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4-dimethylphenyl)butanamide
CID 50747318

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide (CID 92901934) is (2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide is CCC(=O)Nc1ccccc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2ccccc2C)c1=O.
What is the InChIKey of (2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide?
The InChIKey is GEYUXISJYJCCIO-SFHVURJKSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-4-24(32)28-21-14-8-6-12-19(21)25-27(34)31(23-16-10-9-15-22(23)29-25)18(3)26(33)30-20-13-7-5-11-17(20)2/h5-16,18H,4H2,1-3H3,(H,28,32)(H,30,33)/t18-/m0/s1.
What are the key properties of (2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide?
(2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide has a molecular weight of 454.53 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methylphenyl)-2-[2-oxo-3-[2-(propanoylamino)phenyl]quinoxalin-1-yl]propanamide is sourced from PubChem (CID 92901934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).