(NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

C24H18N6O — CID 135510599

IUPAC(NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\CCc2cc(Nc3c(-c4ccc5ccccc5n4)nc4cnccn34)ccc21
InChIInChI=1S/C24H18N6O/c31-29-20-9-6-16-13-17(7-8-18(16)20)26-24-23(28-22-14-25-11-12-30(22)24)21-10-5-15-3-1-2-4-19(15)27-21/h1-5,7-8,10-14,26,31H,6,9H2/b29-20+
InChIKeyWZVLAQROYSZXOO-ZTKZIYFRSA-N
MW406.45 g/mol
LogP4.81
Rot. Bonds3

About (NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

(NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 135510599) has the molecular formula C24H18N6O and a molecular weight of 406.45 g/mol. Its IUPAC name is (NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID135510599
Molecular FormulaC24H18N6O
Molecular Weight406.45 g/mol
Exact Mass406.15
IUPAC Name(NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\CCc2cc(Nc3c(-c4ccc5ccccc5n4)nc4cnccn34)ccc21
InChIInChI=1S/C24H18N6O/c31-29-20-9-6-16-13-17(7-8-18(16)20)26-24-23(28-22-14-25-11-12-30(22)24)21-10-5-15-3-1-2-4-19(15)27-21/h1-5,7-8,10-14,26,31H,6,9H2/b29-20+
InChIKeyWZVLAQROYSZXOO-ZTKZIYFRSA-N
XLogP4.81
TPSA87.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 135510599) is (NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is O/N=C1\CCc2cc(Nc3c(-c4ccc5ccccc5n4)nc4cnccn34)ccc21.
What is the InChIKey of (NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is WZVLAQROYSZXOO-ZTKZIYFRSA-N. The full InChI is InChI=1S/C24H18N6O/c31-29-20-9-6-16-13-17(7-8-18(16)20)26-24-23(28-22-14-25-11-12-30(22)24)21-10-5-15-3-1-2-4-19(15)27-21/h1-5,7-8,10-14,26,31H,6,9H2/b29-20+.
What are the key properties of (NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 406.45 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 135510599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).