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

C19H19N3OS — CID 2844718

IUPAC2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
SMILESCSc1ccc(C2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1
InChIInChI=1S/C19H19N3OS/c1-22(2)13-6-9-15-17(10-13)23-19(21)16(11-20)18(15)12-4-7-14(24-3)8-5-12/h4-10,18H,21H2,1-3H3
InChIKeyHKFFVCRRRLKMBY-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.69
Rot. Bonds3

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

2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile (PubChem CID 2844718) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
PubChem CID2844718
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
SMILESCSc1ccc(C2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1
InChIInChI=1S/C19H19N3OS/c1-22(2)13-6-9-15-17(10-13)23-19(21)16(11-20)18(15)12-4-7-14(24-3)8-5-12/h4-10,18H,21H2,1-3H3
InChIKeyHKFFVCRRRLKMBY-UHFFFAOYSA-N
XLogP3.69
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-7-hydroxy-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
CID 4678187
(4R)-2-amino-7-methoxy-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
CID 8613742
(4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
CID 845730
(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
2-amino-7-(dimethylamino)-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile
CID 10156667
(4R)-2-amino-4-(3-bromo-4-methoxyphenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 1379836
2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-4H-chromene-3-carbonitrile
CID 3113922
(4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 7304497
2-amino-4-(3-bromo-5-methoxyphenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 11406913
[2-amino-3-cyano-4-(4-methylsulfanylphenyl)-4H-chromen-7-yl] 4-nitrobenzenesulfonate
CID 171691965
2-amino-4-[3,5-bis(phenylmethoxy)phenyl]-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 22395334

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile (CID 2844718) is 2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile is CSc1ccc(C2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1.
What is the InChIKey of 2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile?
The InChIKey is HKFFVCRRRLKMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-22(2)13-6-9-15-17(10-13)23-19(21)16(11-20)18(15)12-4-7-14(24-3)8-5-12/h4-10,18H,21H2,1-3H3.
What are the key properties of 2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile?
2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile has a molecular weight of 337.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 2844718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).