7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile

C19H12N2O3 — CID 848968

IUPAC7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile
SMILESCc1ccc(-c2cc3c(c(N)c2C#N)c(=O)oc2ccccc23)o1
InChIInChI=1S/C19H12N2O3/c1-10-6-7-16(23-10)12-8-13-11-4-2-3-5-15(11)24-19(22)17(13)18(21)14(12)9-20/h2-8H,21H2,1H3
InChIKeySXPIVQIIOOZJAC-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.97
Rot. Bonds1

About 7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile

7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile (PubChem CID 848968) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile.

Molecular Properties

Compound Name7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile
PubChem CID848968
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile
SMILESCc1ccc(-c2cc3c(c(N)c2C#N)c(=O)oc2ccccc23)o1
InChIInChI=1S/C19H12N2O3/c1-10-6-7-16(23-10)12-8-13-11-4-2-3-5-15(11)24-19(22)17(13)18(21)14(12)9-20/h2-8H,21H2,1H3
InChIKeySXPIVQIIOOZJAC-UHFFFAOYSA-N
XLogP3.97
TPSA93.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze 7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile?
The IUPAC name of 7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile (CID 848968) is 7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile.
What is the SMILES notation for 7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile?
The canonical SMILES for 7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile is Cc1ccc(-c2cc3c(c(N)c2C#N)c(=O)oc2ccccc23)o1.
What is the InChIKey of 7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile?
The InChIKey is SXPIVQIIOOZJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c1-10-6-7-16(23-10)12-8-13-11-4-2-3-5-15(11)24-19(22)17(13)18(21)14(12)9-20/h2-8H,21H2,1H3.
What are the key properties of 7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile?
7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile has a molecular weight of 316.32 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-9-(5-methylfuran-2-yl)-6-oxobenzo[c]chromene-8-carbonitrile is sourced from PubChem (CID 848968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).