1-[(2S)-4-(cyclopropanecarbonyl)-6-[1-hydrazinyl-2-(methylamino)ethyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

C18H27N5O2 — CID 118320319

IUPAC1-[(2S)-4-(cyclopropanecarbonyl)-6-[1-hydrazinyl-2-(methylamino)ethyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCNCC(NN)c1ccc2c(c1)N(C(=O)C1CC1)C[C@H](C)N2C(C)=O
InChIInChI=1S/C18H27N5O2/c1-11-10-22(18(25)13-4-5-13)17-8-14(15(21-19)9-20-3)6-7-16(17)23(11)12(2)24/h6-8,11,13,15,20-21H,4-5,9-10,19H2,1-3H3/t11-,15?/m0/s1
InChIKeyKGLBBFPBAQDGOR-VPHXOMNUSA-N
MW345.45 g/mol
LogP0.91
Rot. Bonds5

About 1-[(2S)-4-(cyclopropanecarbonyl)-6-[1-hydrazinyl-2-(methylamino)ethyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

1-[(2S)-4-(cyclopropanecarbonyl)-6-[1-hydrazinyl-2-(methylamino)ethyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 118320319) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[(2S)-4-(cyclopropanecarbonyl)-6-[1-hydrazinyl-2-(methylamino)ethyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4-(cyclopropanecarbonyl)-6-[1-hydrazinyl-2-(methylamino)ethyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID118320319
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[(2S)-4-(cyclopropanecarbonyl)-6-[1-hydrazinyl-2-(methylamino)ethyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCNCC(NN)c1ccc2c(c1)N(C(=O)C1CC1)C[C@H](C)N2C(C)=O
InChIInChI=1S/C18H27N5O2/c1-11-10-22(18(25)13-4-5-13)17-8-14(15(21-19)9-20-3)6-7-16(17)23(11)12(2)24/h6-8,11,13,15,20-21H,4-5,9-10,19H2,1-3H3/t11-,15?/m0/s1
InChIKeyKGLBBFPBAQDGOR-VPHXOMNUSA-N
XLogP0.91
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-6-[1-amino-2-(methylamino)ethyl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 122526246
1-[(2S)-6-[1-amino-3-[(2-amino-4-hydroxypentyl)amino]propan-2-yl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 122532017
[(3S)-7-[1-amino-2-[amino(methyl)amino]ethyl]-4-(cyclopropanecarbonyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-cyclopropylmethanone
CID 122526213
1-[4-(cyclopropanecarbonyl)-6-[1-[1-[3-(hydroxymethyl)oxetan-3-yl]propan-2-ylamino]butan-2-yl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123902152
N-[4-[(2S)-1-acetyl-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]ethanesulfonamide
CID 118079571
1-[4-(cyclopropanecarbonyl)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079864
1-[(2S)-4-(cyclopropanecarbonyl)-6-[4-(2,2-dimethylpropylsulfonyl)phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 147478718
N-[4-[(2S)-1-acetyl-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-2-fluorophenyl]methanesulfonamide
CID 118079179
1-[4-(cyclopropanecarbonyl)-2-methyl-6-(2-methylcyclohepta-1,4,6-trien-1-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 146340690
1-[(2S)-4-(cyclobutanecarbonyl)-2-methyl-6-(4-propan-2-ylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118080315
propan-2-yl (3S)-4-acetyl-7-[1-amino-3-[(2-amino-2-oxoethyl)amino]propan-2-yl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 118080579
1-[4-(cyclobutanecarbonyl)-6-(4-ethylsulfonylphenyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123432990

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(cyclopropanecarbonyl)-6-[1-hydrazinyl-2-(methylamino)ethyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-4-(cyclopropanecarbonyl)-6-[1-hydrazinyl-2-(methylamino)ethyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (CID 118320319) is 1-[(2S)-4-(cyclopropanecarbonyl)-6-[1-hydrazinyl-2-(methylamino)ethyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4-(cyclopropanecarbonyl)-6-[1-hydrazinyl-2-(methylamino)ethyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-4-(cyclopropanecarbonyl)-6-[1-hydrazinyl-2-(methylamino)ethyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is CNCC(NN)c1ccc2c(c1)N(C(=O)C1CC1)C[C@H](C)N2C(C)=O.
What is the InChIKey of 1-[(2S)-4-(cyclopropanecarbonyl)-6-[1-hydrazinyl-2-(methylamino)ethyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is KGLBBFPBAQDGOR-VPHXOMNUSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-11-10-22(18(25)13-4-5-13)17-8-14(15(21-19)9-20-3)6-7-16(17)23(11)12(2)24/h6-8,11,13,15,20-21H,4-5,9-10,19H2,1-3H3/t11-,15?/m0/s1.
What are the key properties of 1-[(2S)-4-(cyclopropanecarbonyl)-6-[1-hydrazinyl-2-(methylamino)ethyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[(2S)-4-(cyclopropanecarbonyl)-6-[1-hydrazinyl-2-(methylamino)ethyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 345.45 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(cyclopropanecarbonyl)-6-[1-hydrazinyl-2-(methylamino)ethyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 118320319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).