2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile

C18H16FN3O — CID 2844723

IUPAC2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(F)c1
InChIInChI=1S/C18H16FN3O/c1-22(2)13-6-7-14-16(9-13)23-18(21)15(10-20)17(14)11-4-3-5-12(19)8-11/h3-9,17H,21H2,1-2H3
InChIKeyHZSQCVIQVSEACA-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.11
Rot. Bonds2

About 2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile

2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile (PubChem CID 2844723) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile
PubChem CID2844723
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(F)c1
InChIInChI=1S/C18H16FN3O/c1-22(2)13-6-7-14-16(9-13)23-18(21)15(10-20)17(14)11-4-3-5-12(19)8-11/h3-9,17H,21H2,1-2H3
InChIKeyHZSQCVIQVSEACA-UHFFFAOYSA-N
XLogP3.11
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile (CID 2844723) is 2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile is CN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(F)c1.
What is the InChIKey of 2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile?
The InChIKey is HZSQCVIQVSEACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-22(2)13-6-7-14-16(9-13)23-18(21)15(10-20)17(14)11-4-3-5-12(19)8-11/h3-9,17H,21H2,1-2H3.
What are the key properties of 2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile?
2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile has a molecular weight of 309.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(dimethylamino)-4-(3-fluorophenyl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 2844723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).