2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile

C18H16N2O4 — CID 647131

IUPAC2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC
InChIInChI=1S/C18H16N2O4/c1-22-14-6-3-10(7-16(14)23-2)17-12-5-4-11(21)8-15(12)24-18(20)13(17)9-19/h3-8,17,21H,20H2,1-2H3
InChIKeyDABHSSCZWAQBMZ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.63
Rot. Bonds3

About 2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile

2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile (PubChem CID 647131) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
PubChem CID647131
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC
InChIInChI=1S/C18H16N2O4/c1-22-14-6-3-10(7-16(14)23-2)17-12-5-4-11(21)8-15(12)24-18(20)13(17)9-19/h3-8,17,21H,20H2,1-2H3
InChIKeyDABHSSCZWAQBMZ-UHFFFAOYSA-N
XLogP2.63
TPSA97.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-O-Methylgigantol
CID 10108163
Canniprene
CID 53439651
7-Hydroxy-2',3',4'-trimethoxyisoflavan
CID 54100766
3,2'-Dihydroxy-4,5-dimethoxybibenzyl
CID 10754781
2-[2-(3,4,5-Trimethoxyphenyl)ethyl]phenol
CID 12888722
Griffithane B (10)
CID 21596147
2-Amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromen-3-YL cyanide
CID 9923922
2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile
CID 604603
2-amino-4-(2,5-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 4264350
2-amino-7-methoxy-4-(3-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 9879649
6-amino-8-(3-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 56951977
Isoerianin
CID 44511349

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile (CID 647131) is 2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile is COc1ccc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC.
What is the InChIKey of 2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile?
The InChIKey is DABHSSCZWAQBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-14-6-3-10(7-16(14)23-2)17-12-5-4-11(21)8-15(12)24-18(20)13(17)9-19/h3-8,17,21H,20H2,1-2H3.
What are the key properties of 2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile?
2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile has a molecular weight of 324.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile is sourced from PubChem (CID 647131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).