2-amino-7-(diethylamino)-4-phenyl-4H-chromene-3-carbonitrile

C20H21N3O — CID 3154939

IUPAC2-amino-7-(diethylamino)-4-phenyl-4H-chromene-3-carbonitrile
SMILESCCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2c1ccccc1
InChIInChI=1S/C20H21N3O/c1-3-23(4-2)15-10-11-16-18(12-15)24-20(22)17(13-21)19(16)14-8-6-5-7-9-14/h5-12,19H,3-4,22H2,1-2H3
InChIKeyVBWFHJWQMXTBJL-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.75
Rot. Bonds4

About 2-amino-7-(diethylamino)-4-phenyl-4H-chromene-3-carbonitrile

2-amino-7-(diethylamino)-4-phenyl-4H-chromene-3-carbonitrile (PubChem CID 3154939) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-amino-7-(diethylamino)-4-phenyl-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-(diethylamino)-4-phenyl-4H-chromene-3-carbonitrile
PubChem CID3154939
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-amino-7-(diethylamino)-4-phenyl-4H-chromene-3-carbonitrile
SMILESCCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2c1ccccc1
InChIInChI=1S/C20H21N3O/c1-3-23(4-2)15-10-11-16-18(12-15)24-20(22)17(13-21)19(16)14-8-6-5-7-9-14/h5-12,19H,3-4,22H2,1-2H3
InChIKeyVBWFHJWQMXTBJL-UHFFFAOYSA-N
XLogP3.75
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(diethylamino)-4-phenyl-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-(diethylamino)-4-phenyl-4H-chromene-3-carbonitrile (CID 3154939) is 2-amino-7-(diethylamino)-4-phenyl-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-(diethylamino)-4-phenyl-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-(diethylamino)-4-phenyl-4H-chromene-3-carbonitrile is CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2c1ccccc1.
What is the InChIKey of 2-amino-7-(diethylamino)-4-phenyl-4H-chromene-3-carbonitrile?
The InChIKey is VBWFHJWQMXTBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-23(4-2)15-10-11-16-18(12-15)24-20(22)17(13-21)19(16)14-8-6-5-7-9-14/h5-12,19H,3-4,22H2,1-2H3.
What are the key properties of 2-amino-7-(diethylamino)-4-phenyl-4H-chromene-3-carbonitrile?
2-amino-7-(diethylamino)-4-phenyl-4H-chromene-3-carbonitrile has a molecular weight of 319.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(diethylamino)-4-phenyl-4H-chromene-3-carbonitrile is sourced from PubChem (CID 3154939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).