2-amino-6-hexyl-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile

C23H26N2O3 — CID 169224147

IUPAC2-amino-6-hexyl-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile
SMILESCCCCCCc1cc2c(cc1O)OC(N)=C(C#N)C2c1ccc(OC)cc1
InChIInChI=1S/C23H26N2O3/c1-3-4-5-6-7-16-12-18-21(13-20(16)26)28-23(25)19(14-24)22(18)15-8-10-17(27-2)11-9-15/h8-13,22,26H,3-7,25H2,1-2H3
InChIKeyOABCEBBXVANIKT-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.74
Rot. Bonds7

About 2-amino-6-hexyl-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile

2-amino-6-hexyl-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile (PubChem CID 169224147) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-amino-6-hexyl-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-hexyl-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile
PubChem CID169224147
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-amino-6-hexyl-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile
SMILESCCCCCCc1cc2c(cc1O)OC(N)=C(C#N)C2c1ccc(OC)cc1
InChIInChI=1S/C23H26N2O3/c1-3-4-5-6-7-16-12-18-21(13-20(16)26)28-23(25)19(14-24)22(18)15-8-10-17(27-2)11-9-15/h8-13,22,26H,3-7,25H2,1-2H3
InChIKeyOABCEBBXVANIKT-UHFFFAOYSA-N
XLogP4.74
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-8-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 2941798
2-amino-4-(4-butoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 3112858
[2-amino-3-cyano-4-(4-heptoxyphenyl)-4H-chromen-7-yl] 3-methoxybenzoate
CID 19125744
(4R)-2-amino-7-methoxy-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
CID 8613742
(4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 92974508
[2-amino-3-cyano-4-(4-ethoxyphenyl)-4H-chromen-7-yl] 4-methoxybenzoate
CID 19125662
(4R)-2-amino-4-(3-bromo-4-fluorophenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 8613732
[2-amino-3-cyano-4-(4-methoxyphenyl)-4H-chromen-7-yl] 3-propoxybenzoate
CID 19121084
[2-amino-3-cyano-4-(4-methoxyphenyl)-4H-chromen-7-yl] benzoate
CID 19121025
[2-amino-3-cyano-4-(4-methoxyphenyl)-4H-chromen-7-yl] 2-(4-ethylphenoxy)acetate
CID 19121089
(4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile
CID 40841877
[2-amino-3-cyano-4-(4-pentoxyphenyl)-4H-chromen-7-yl] 3,5-dichloro-4-methoxybenzoate
CID 19129406

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-hexyl-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-6-hexyl-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile (CID 169224147) is 2-amino-6-hexyl-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-6-hexyl-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-6-hexyl-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile is CCCCCCc1cc2c(cc1O)OC(N)=C(C#N)C2c1ccc(OC)cc1.
What is the InChIKey of 2-amino-6-hexyl-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile?
The InChIKey is OABCEBBXVANIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-4-5-6-7-16-12-18-21(13-20(16)26)28-23(25)19(14-24)22(18)15-8-10-17(27-2)11-9-15/h8-13,22,26H,3-7,25H2,1-2H3.
What are the key properties of 2-amino-6-hexyl-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile?
2-amino-6-hexyl-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile has a molecular weight of 378.47 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-hexyl-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 169224147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).