7-amino-6-oxo-9-phenylnaphtho[1,2-c]isochromene-8-carbonitrile

C24H14N2O2 — CID 3008425

IUPAC7-amino-6-oxo-9-phenylnaphtho[1,2-c]isochromene-8-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc2c(c1N)c(=O)oc1c3ccccc3ccc21
InChIInChI=1S/C24H14N2O2/c25-13-20-18(14-6-2-1-3-7-14)12-19-17-11-10-15-8-4-5-9-16(15)23(17)28-24(27)21(19)22(20)26/h1-12H,26H2
InChIKeyGIFKBOJQMYXRHW-UHFFFAOYSA-N
MW362.39 g/mol
LogP5.22
Rot. Bonds1

About 7-amino-6-oxo-9-phenylnaphtho[1,2-c]isochromene-8-carbonitrile

7-amino-6-oxo-9-phenylnaphtho[1,2-c]isochromene-8-carbonitrile (PubChem CID 3008425) has the molecular formula C24H14N2O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 7-amino-6-oxo-9-phenylnaphtho[1,2-c]isochromene-8-carbonitrile.

Molecular Properties

Compound Name7-amino-6-oxo-9-phenylnaphtho[1,2-c]isochromene-8-carbonitrile
PubChem CID3008425
Molecular FormulaC24H14N2O2
Molecular Weight362.39 g/mol
Exact Mass362.11
IUPAC Name7-amino-6-oxo-9-phenylnaphtho[1,2-c]isochromene-8-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc2c(c1N)c(=O)oc1c3ccccc3ccc21
InChIInChI=1S/C24H14N2O2/c25-13-20-18(14-6-2-1-3-7-14)12-19-17-11-10-15-8-4-5-9-16(15)23(17)28-24(27)21(19)22(20)26/h1-12H,26H2
InChIKeyGIFKBOJQMYXRHW-UHFFFAOYSA-N
XLogP5.22
TPSA80.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-oxo-9-phenylnaphtho[1,2-c]isochromene-8-carbonitrile?
The IUPAC name of 7-amino-6-oxo-9-phenylnaphtho[1,2-c]isochromene-8-carbonitrile (CID 3008425) is 7-amino-6-oxo-9-phenylnaphtho[1,2-c]isochromene-8-carbonitrile.
What is the SMILES notation for 7-amino-6-oxo-9-phenylnaphtho[1,2-c]isochromene-8-carbonitrile?
The canonical SMILES for 7-amino-6-oxo-9-phenylnaphtho[1,2-c]isochromene-8-carbonitrile is N#Cc1c(-c2ccccc2)cc2c(c1N)c(=O)oc1c3ccccc3ccc21.
What is the InChIKey of 7-amino-6-oxo-9-phenylnaphtho[1,2-c]isochromene-8-carbonitrile?
The InChIKey is GIFKBOJQMYXRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2O2/c25-13-20-18(14-6-2-1-3-7-14)12-19-17-11-10-15-8-4-5-9-16(15)23(17)28-24(27)21(19)22(20)26/h1-12H,26H2.
What are the key properties of 7-amino-6-oxo-9-phenylnaphtho[1,2-c]isochromene-8-carbonitrile?
7-amino-6-oxo-9-phenylnaphtho[1,2-c]isochromene-8-carbonitrile has a molecular weight of 362.39 g/mol, XLogP of 5.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-oxo-9-phenylnaphtho[1,2-c]isochromene-8-carbonitrile is sourced from PubChem (CID 3008425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).