6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine

C20H21N5 — CID 146475288

IUPAC6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine
SMILES[H]/N=C/C(=C\N)c1ccc2nc(N(C)[C@H](C)c3ccccc3)cnc2c1
InChIInChI=1S/C20H21N5/c1-14(15-6-4-3-5-7-15)25(2)20-13-23-19-10-16(17(11-21)12-22)8-9-18(19)24-20/h3-14,21H,22H2,1-2H3/b17-12+,21-11+/t14-/m1/s1
InChIKeyVIADJPZXKJBMEA-VLLFTNPVSA-N
MW331.42 g/mol
LogP3.78
Rot. Bonds5

About 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine

6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine (PubChem CID 146475288) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine.

Molecular Properties

Compound Name6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine
PubChem CID146475288
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine
SMILES[H]/N=C/C(=C\N)c1ccc2nc(N(C)[C@H](C)c3ccccc3)cnc2c1
InChIInChI=1S/C20H21N5/c1-14(15-6-4-3-5-7-15)25(2)20-13-23-19-10-16(17(11-21)12-22)8-9-18(19)24-20/h3-14,21H,22H2,1-2H3/b17-12+,21-11+/t14-/m1/s1
InChIKeyVIADJPZXKJBMEA-VLLFTNPVSA-N
XLogP3.78
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine?
The IUPAC name of 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine (CID 146475288) is 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine.
What is the SMILES notation for 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine?
The canonical SMILES for 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine is [H]/N=C/C(=C\N)c1ccc2nc(N(C)[C@H](C)c3ccccc3)cnc2c1.
What is the InChIKey of 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine?
The InChIKey is VIADJPZXKJBMEA-VLLFTNPVSA-N. The full InChI is InChI=1S/C20H21N5/c1-14(15-6-4-3-5-7-15)25(2)20-13-23-19-10-16(17(11-21)12-22)8-9-18(19)24-20/h3-14,21H,22H2,1-2H3/b17-12+,21-11+/t14-/m1/s1.
What are the key properties of 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine?
6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine has a molecular weight of 331.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]quinoxalin-2-amine is sourced from PubChem (CID 146475288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).