2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile

C19H18N2O2 — CID 2835001

IUPAC2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
SMILESCC(C)c1ccc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc1
InChIInChI=1S/C19H18N2O2/c1-11(2)12-3-5-13(6-4-12)18-15-8-7-14(22)9-17(15)23-19(21)16(18)10-20/h3-9,11,18,22H,21H2,1-2H3
InChIKeyIWGWSMKLDSKPOO-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.73
Rot. Bonds2

About 2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile

2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile (PubChem CID 2835001) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
PubChem CID2835001
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
SMILESCC(C)c1ccc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc1
InChIInChI=1S/C19H18N2O2/c1-11(2)12-3-5-13(6-4-12)18-15-8-7-14(22)9-17(15)23-19(21)16(18)10-20/h3-9,11,18,22H,21H2,1-2H3
InChIKeyIWGWSMKLDSKPOO-UHFFFAOYSA-N
XLogP3.73
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile
CID 752580
(4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
CID 845730
2-amino-7-hydroxy-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
CID 4678187
(4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 766183
(8R)-6-amino-8-(4-propan-2-ylphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 752469
2-amino-4-(4-butoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 3112858
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
[2-amino-3-cyano-4-(4-propan-2-ylphenyl)-4H-chromen-7-yl] benzoate
CID 19120705
2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile
CID 2837584
[2-amino-3-cyano-4-(4-propan-2-ylphenyl)-4H-chromen-7-yl] 2-chlorobenzoate
CID 19120713
(4S)-2-amino-7-hydroxy-4-(1-methylpyridin-1-ium-3-yl)-4H-chromene-3-carbonitrile
CID 915024

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile (CID 2835001) is 2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile is CC(C)c1ccc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc1.
What is the InChIKey of 2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile?
The InChIKey is IWGWSMKLDSKPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-11(2)12-3-5-13(6-4-12)18-15-8-7-14(22)9-17(15)23-19(21)16(18)10-20/h3-9,11,18,22H,21H2,1-2H3.
What are the key properties of 2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile?
2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 2835001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).