2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile

C28H22N4O2 — CID 138454648

IUPAC2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3c2cc2ccccc2c3/N=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C28H22N4O2/c1-17-7-11-20(12-8-17)31-32-26-22-6-4-3-5-19(22)15-23-25(18-9-13-21(33-2)14-10-18)24(16-29)28(30)34-27(23)26/h3-15,25H,30H2,1-2H3/b32-31+
InChIKeyUYGKWBRGAYDJKN-QNEJGDQOSA-N
MW446.51 g/mol
LogP6.79
Rot. Bonds4

About 2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile

2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile (PubChem CID 138454648) has the molecular formula C28H22N4O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile
PubChem CID138454648
Molecular FormulaC28H22N4O2
Molecular Weight446.51 g/mol
Exact Mass446.17
IUPAC Name2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3c2cc2ccccc2c3/N=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C28H22N4O2/c1-17-7-11-20(12-8-17)31-32-26-22-6-4-3-5-19(22)15-23-25(18-9-13-21(33-2)14-10-18)24(16-29)28(30)34-27(23)26/h3-15,25H,30H2,1-2H3/b32-31+
InChIKeyUYGKWBRGAYDJKN-QNEJGDQOSA-N
XLogP6.79
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

10-[(4-acetylphenyl)diazenyl]-2-amino-4-(4-fluorophenyl)-4H-benzo[g]chromene-3-carbonitrile
CID 138454654
(4R)-2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 700282
(4S)-2-amino-4-(3-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 793791
2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 14168965
(4R)-2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 28611122
6-amino-8-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 2941798
5-amino-3-(4-methylphenyl)-6-oxa-15,22-diazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),4,8,10,12,14,16,18,20-decaene-4-carbonitrile
CID 132599746
[2-amino-3-cyano-4-(4-methylphenyl)-4H-chromen-7-yl] benzoate
CID 19120625
[2-amino-3-cyano-4-(4-methoxyphenyl)-4H-chromen-7-yl] benzoate
CID 19121025
(4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 92974508
2-amino-4-(4-methoxyphenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile
CID 5242125
(11R)-13-amino-11-(4-methoxyphenyl)-3,5-dimethyl-7-oxo-4-phenyl-14-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,8,12-pentaene-12-carbonitrile
CID 92845251

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile (CID 138454648) is 2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile is COc1ccc(C2C(C#N)=C(N)Oc3c2cc2ccccc2c3/N=N/c2ccc(C)cc2)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile?
The InChIKey is UYGKWBRGAYDJKN-QNEJGDQOSA-N. The full InChI is InChI=1S/C28H22N4O2/c1-17-7-11-20(12-8-17)31-32-26-22-6-4-3-5-19(22)15-23-25(18-9-13-21(33-2)14-10-18)24(16-29)28(30)34-27(23)26/h3-15,25H,30H2,1-2H3/b32-31+.
What are the key properties of 2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile?
2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile has a molecular weight of 446.51 g/mol, XLogP of 6.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile is sourced from PubChem (CID 138454648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).