2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile

C20H16N2O3 — CID 2839149

IUPAC2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1c1ccoc1
InChIInChI=1S/C20H16N2O3/c21-10-15-18(13-6-7-24-11-13)19-16(23)8-14(9-17(19)25-20(15)22)12-4-2-1-3-5-12/h1-7,11,14,18H,8-9,22H2
InChIKeyKVJKZPIMYZVRCS-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.49
Rot. Bonds2

About 2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile

2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile (PubChem CID 2839149) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
PubChem CID2839149
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1c1ccoc1
InChIInChI=1S/C20H16N2O3/c21-10-15-18(13-6-7-24-11-13)19-16(23)8-14(9-17(19)25-20(15)22)12-4-2-1-3-5-12/h1-7,11,14,18H,8-9,22H2
InChIKeyKVJKZPIMYZVRCS-UHFFFAOYSA-N
XLogP3.49
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-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 2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile (CID 2839149) is 2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile is N#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1c1ccoc1.
What is the InChIKey of 2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The InChIKey is KVJKZPIMYZVRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c21-10-15-18(13-6-7-24-11-13)19-16(23)8-14(9-17(19)25-20(15)22)12-4-2-1-3-5-12/h1-7,11,14,18H,8-9,22H2.
What are the key properties of 2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile has a molecular weight of 332.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile is sourced from PubChem (CID 2839149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).