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

C18H26N4O2 — CID 122526246

IUPAC1-[(2S)-6-[1-amino-2-(methylamino)ethyl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCNCC(N)c1ccc2c(c1)N(C(=O)C1CC1)C[C@H](C)N2C(C)=O
InChIInChI=1S/C18H26N4O2/c1-11-10-21(18(24)13-4-5-13)17-8-14(15(19)9-20-3)6-7-16(17)22(11)12(2)23/h6-8,11,13,15,20H,4-5,9-10,19H2,1-3H3/t11-,15?/m0/s1
InChIKeyREFJLQLLBHWMSW-VPHXOMNUSA-N
MW330.43 g/mol
LogP1.40
Rot. Bonds4

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

1-[(2S)-6-[1-amino-2-(methylamino)ethyl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 122526246) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(2S)-6-[1-amino-2-(methylamino)ethyl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-6-[1-amino-2-(methylamino)ethyl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID122526246
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[(2S)-6-[1-amino-2-(methylamino)ethyl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCNCC(N)c1ccc2c(c1)N(C(=O)C1CC1)C[C@H](C)N2C(C)=O
InChIInChI=1S/C18H26N4O2/c1-11-10-21(18(24)13-4-5-13)17-8-14(15(19)9-20-3)6-7-16(17)22(11)12(2)23/h6-8,11,13,15,20H,4-5,9-10,19H2,1-3H3/t11-,15?/m0/s1
InChIKeyREFJLQLLBHWMSW-VPHXOMNUSA-N
XLogP1.40
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-6-[1-amino-2-(methylamino)ethyl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-6-[1-amino-2-(methylamino)ethyl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (CID 122526246) is 1-[(2S)-6-[1-amino-2-(methylamino)ethyl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-6-[1-amino-2-(methylamino)ethyl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-6-[1-amino-2-(methylamino)ethyl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is CNCC(N)c1ccc2c(c1)N(C(=O)C1CC1)C[C@H](C)N2C(C)=O.
What is the InChIKey of 1-[(2S)-6-[1-amino-2-(methylamino)ethyl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is REFJLQLLBHWMSW-VPHXOMNUSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-11-10-21(18(24)13-4-5-13)17-8-14(15(19)9-20-3)6-7-16(17)22(11)12(2)23/h6-8,11,13,15,20H,4-5,9-10,19H2,1-3H3/t11-,15?/m0/s1.
What are the key properties of 1-[(2S)-6-[1-amino-2-(methylamino)ethyl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[(2S)-6-[1-amino-2-(methylamino)ethyl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 330.43 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-6-[1-amino-2-(methylamino)ethyl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 122526246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).