(4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile

C17H14N2O2 — CID 752580

IUPAC(4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile
SMILESCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1
InChIInChI=1S/C17H14N2O2/c1-10-2-4-11(5-3-10)16-13-7-6-12(20)8-15(13)21-17(19)14(16)9-18/h2-8,16,20H,19H2,1H3/t16-/m1/s1
InChIKeyDQOFBYHXPUTJSF-MRXNPFEDSA-N
MW278.31 g/mol
LogP2.92
Rot. Bonds1

About (4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile

(4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile (PubChem CID 752580) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile
PubChem CID752580
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile
SMILESCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1
InChIInChI=1S/C17H14N2O2/c1-10-2-4-11(5-3-10)16-13-7-6-12(20)8-15(13)21-17(19)14(16)9-18/h2-8,16,20H,19H2,1H3/t16-/m1/s1
InChIKeyDQOFBYHXPUTJSF-MRXNPFEDSA-N
XLogP2.92
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-7-hydroxy-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
CID 4678187
2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
CID 2835001
(4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 766183
2-amino-4-(4-butoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 3112858
2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile
CID 2837584
2-amino-4-(3-chloro-4-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 3153844
(4R)-2-amino-4-(3-chloro-4-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 752577
(4S)-2-amino-7-hydroxy-4-(1-methylpyridin-1-ium-3-yl)-4H-chromene-3-carbonitrile
CID 915024
2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 4530505
[2-amino-3-cyano-4-(4-methylphenyl)-4H-chromen-7-yl] benzoate
CID 19120625
3-[(4R)-2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl]-N-hydroxybenzeneamine oxide
CID 163147919
(4R)-2-amino-4-(3,5-dichloro-4-ethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 126137936

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile?
The IUPAC name of (4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile (CID 752580) is (4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile is Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1.
What is the InChIKey of (4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile?
The InChIKey is DQOFBYHXPUTJSF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-10-2-4-11(5-3-10)16-13-7-6-12(20)8-15(13)21-17(19)14(16)9-18/h2-8,16,20H,19H2,1H3/t16-/m1/s1.
What are the key properties of (4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile?
(4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile has a molecular weight of 278.31 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 752580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).