N-[(E)-quinolin-2-ylmethylideneamino]pyrrolo[1,2-a]quinoxalin-4-amine

C21H15N5 — CID 53495200

IUPACN-[(E)-quinolin-2-ylmethylideneamino]pyrrolo[1,2-a]quinoxalin-4-amine
SMILESC(=N/Nc1nc2ccccc2n2cccc12)\c1ccc2ccccc2n1
InChIInChI=1S/C21H15N5/c1-2-7-17-15(6-1)11-12-16(23-17)14-22-25-21-20-10-5-13-26(20)19-9-4-3-8-18(19)24-21/h1-14H,(H,24,25)/b22-14+
InChIKeyZIXYYLQFQBBZLT-HYARGMPZSA-N
MW337.39 g/mol
LogP4.48
Rot. Bonds3

About N-[(E)-quinolin-2-ylmethylideneamino]pyrrolo[1,2-a]quinoxalin-4-amine

N-[(E)-quinolin-2-ylmethylideneamino]pyrrolo[1,2-a]quinoxalin-4-amine (PubChem CID 53495200) has the molecular formula C21H15N5 and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[(E)-quinolin-2-ylmethylideneamino]pyrrolo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-[(E)-quinolin-2-ylmethylideneamino]pyrrolo[1,2-a]quinoxalin-4-amine
PubChem CID53495200
Molecular FormulaC21H15N5
Molecular Weight337.39 g/mol
Exact Mass337.13
IUPAC NameN-[(E)-quinolin-2-ylmethylideneamino]pyrrolo[1,2-a]quinoxalin-4-amine
SMILESC(=N/Nc1nc2ccccc2n2cccc12)\c1ccc2ccccc2n1
InChIInChI=1S/C21H15N5/c1-2-7-17-15(6-1)11-12-16(23-17)14-22-25-21-20-10-5-13-26(20)19-9-4-3-8-18(19)24-21/h1-14H,(H,24,25)/b22-14+
InChIKeyZIXYYLQFQBBZLT-HYARGMPZSA-N
XLogP4.48
TPSA54.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine
CID 70237134
(Z)-1-quinolin-2-yl-N-[(Z)-quinolin-2-ylmethylideneamino]methanimine
CID 6299697
1-quinolin-2-yl-N-[2-(quinolin-2-ylmethylideneamino)ethyl]methanimine
CID 68976214
N-phenyl-1-quinolin-2-ylmethanimine
CID 13120185
N-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 3745187
4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide
CID 139203008
N-[3-[4-[3-(pyrrolo[1,2-a]quinoxalin-4-ylamino)propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine
CID 11478144
N-[(Z)-quinolin-2-ylmethylideneamino]thiomorpholine-4-carbothioamide
CID 155524028
7-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine
CID 45268450
3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide
CID 118569920
8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine
CID 24805849
N-cyclopentyl-1-quinolin-2-ylmethanimine
CID 142726970

Frequently Asked Questions

What is the IUPAC name of N-[(E)-quinolin-2-ylmethylideneamino]pyrrolo[1,2-a]quinoxalin-4-amine?
The IUPAC name of N-[(E)-quinolin-2-ylmethylideneamino]pyrrolo[1,2-a]quinoxalin-4-amine (CID 53495200) is N-[(E)-quinolin-2-ylmethylideneamino]pyrrolo[1,2-a]quinoxalin-4-amine.
What is the SMILES notation for N-[(E)-quinolin-2-ylmethylideneamino]pyrrolo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for N-[(E)-quinolin-2-ylmethylideneamino]pyrrolo[1,2-a]quinoxalin-4-amine is C(=N/Nc1nc2ccccc2n2cccc12)\c1ccc2ccccc2n1.
What is the InChIKey of N-[(E)-quinolin-2-ylmethylideneamino]pyrrolo[1,2-a]quinoxalin-4-amine?
The InChIKey is ZIXYYLQFQBBZLT-HYARGMPZSA-N. The full InChI is InChI=1S/C21H15N5/c1-2-7-17-15(6-1)11-12-16(23-17)14-22-25-21-20-10-5-13-26(20)19-9-4-3-8-18(19)24-21/h1-14H,(H,24,25)/b22-14+.
What are the key properties of N-[(E)-quinolin-2-ylmethylideneamino]pyrrolo[1,2-a]quinoxalin-4-amine?
N-[(E)-quinolin-2-ylmethylideneamino]pyrrolo[1,2-a]quinoxalin-4-amine has a molecular weight of 337.39 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-quinolin-2-ylmethylideneamino]pyrrolo[1,2-a]quinoxalin-4-amine is sourced from PubChem (CID 53495200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).