7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1-methyl-4-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile;ethane

C26H30N6O — CID 162753959

IUPAC7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1-methyl-4-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile;ethane
SMILESC/N=C/C(=C\N)c1cc2c(cc1C#N)N(c1cccc3c1ccc(=O)n3C)CCN2C.CC
InChIInChI=1S/C24H24N6O.C2H6/c1-27-15-17(14-26)19-12-22-23(11-16(19)13-25)30(10-9-28(22)2)21-6-4-5-20-18(21)7-8-24(31)29(20)3;1-2/h4-8,11-12,14-15H,9-10,26H2,1-3H3;1-2H3/b17-14+,27-15+;
InChIKeyFDPRGPLVFCAQRZ-YAYBMXRHSA-N
MW442.57 g/mol
LogP4.02
Rot. Bonds3

About 7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1-methyl-4-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile;ethane

7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1-methyl-4-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile;ethane (PubChem CID 162753959) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1-methyl-4-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile;ethane.

Molecular Properties

Compound Name7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1-methyl-4-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile;ethane
PubChem CID162753959
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1-methyl-4-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile;ethane
SMILESC/N=C/C(=C\N)c1cc2c(cc1C#N)N(c1cccc3c1ccc(=O)n3C)CCN2C.CC
InChIInChI=1S/C24H24N6O.C2H6/c1-27-15-17(14-26)19-12-22-23(11-16(19)13-25)30(10-9-28(22)2)21-6-4-5-20-18(21)7-8-24(31)29(20)3;1-2/h4-8,11-12,14-15H,9-10,26H2,1-3H3;1-2H3/b17-14+,27-15+;
InChIKeyFDPRGPLVFCAQRZ-YAYBMXRHSA-N
XLogP4.02
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1-methyl-4-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile;ethane?
The IUPAC name of 7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1-methyl-4-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile;ethane (CID 162753959) is 7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1-methyl-4-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile;ethane.
What is the SMILES notation for 7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1-methyl-4-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile;ethane?
The canonical SMILES for 7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1-methyl-4-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile;ethane is C/N=C/C(=C\N)c1cc2c(cc1C#N)N(c1cccc3c1ccc(=O)n3C)CCN2C.CC.
What is the InChIKey of 7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1-methyl-4-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile;ethane?
The InChIKey is FDPRGPLVFCAQRZ-YAYBMXRHSA-N. The full InChI is InChI=1S/C24H24N6O.C2H6/c1-27-15-17(14-26)19-12-22-23(11-16(19)13-25)30(10-9-28(22)2)21-6-4-5-20-18(21)7-8-24(31)29(20)3;1-2/h4-8,11-12,14-15H,9-10,26H2,1-3H3;1-2H3/b17-14+,27-15+;.
What are the key properties of 7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1-methyl-4-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile;ethane?
7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1-methyl-4-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile;ethane has a molecular weight of 442.57 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1-methyl-4-(1-methyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile;ethane is sourced from PubChem (CID 162753959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).