2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile

C17H14N2O2 — CID 4167596

IUPAC2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile
SMILESCOc1ccc2c(c1)OC(N)=C(C#N)C2c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-20-12-7-8-13-15(9-12)21-17(19)14(10-18)16(13)11-5-3-2-4-6-11/h2-9,16H,19H2,1H3
InChIKeyKOPCDQPXCUFXDO-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.91
Rot. Bonds2

About 2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile

2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile (PubChem CID 4167596) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile
PubChem CID4167596
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile
SMILESCOc1ccc2c(c1)OC(N)=C(C#N)C2c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-20-12-7-8-13-15(9-12)21-17(19)14(10-18)16(13)11-5-3-2-4-6-11/h2-9,16H,19H2,1H3
InChIKeyKOPCDQPXCUFXDO-UHFFFAOYSA-N
XLogP2.91
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile (CID 4167596) is 2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile is COc1ccc2c(c1)OC(N)=C(C#N)C2c1ccccc1.
What is the InChIKey of 2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile?
The InChIKey is KOPCDQPXCUFXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-20-12-7-8-13-15(9-12)21-17(19)14(10-18)16(13)11-5-3-2-4-6-11/h2-9,16H,19H2,1H3.
What are the key properties of 2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile?
2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile has a molecular weight of 278.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methoxy-4-phenyl-4H-chromene-3-carbonitrile is sourced from PubChem (CID 4167596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).