(4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile

C18H15Cl2N3O — CID 7304497

IUPAC(4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3O/c1-23(2)11-4-6-13-16(8-11)24-18(22)14(9-21)17(13)12-5-3-10(19)7-15(12)20/h3-8,17H,22H2,1-2H3/t17-/m1/s1
InChIKeyLZCJEAAFNDFFBL-QGZVFWFLSA-N
MW360.24 g/mol
LogP4.28
Rot. Bonds2

About (4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile

(4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile (PubChem CID 7304497) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is (4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
PubChem CID7304497
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC Name(4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3O/c1-23(2)11-4-6-13-16(8-11)24-18(22)14(9-21)17(13)12-5-3-10(19)7-15(12)20/h3-8,17H,22H2,1-2H3/t17-/m1/s1
InChIKeyLZCJEAAFNDFFBL-QGZVFWFLSA-N
XLogP4.28
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-amino-4-(3-chlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 51524563
2-amino-4-(2,6-difluorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 16762776
(8S)-6-amino-8-(2,4-dichlorophenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 2194496
(4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
CID 845730
2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
CID 2844718
2-amino-7-(dimethylamino)-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile
CID 10156667
2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 46894193
[2-amino-3-cyano-4-(2,4-dichlorophenyl)-4H-chromen-7-yl] 4-methylbenzoate
CID 19122142
2-amino-4-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 3494014
2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CID 608896
2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-4H-chromene-3-carbonitrile
CID 3113922
(4R)-2,7-diamino-4-(2-chlorophenyl)-4H-chromene-3-carbonitrile
CID 749460

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile?
The IUPAC name of (4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile (CID 7304497) is (4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile is CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl.
What is the InChIKey of (4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile?
The InChIKey is LZCJEAAFNDFFBL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c1-23(2)11-4-6-13-16(8-11)24-18(22)14(9-21)17(13)12-5-3-10(19)7-15(12)20/h3-8,17H,22H2,1-2H3/t17-/m1/s1.
What are the key properties of (4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile?
(4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile has a molecular weight of 360.24 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 7304497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).