2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile

C18H14N2O5 — CID 2837578

IUPAC2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile
SMILESCOc1cc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc2c1OCO2
InChIInChI=1S/C18H14N2O5/c1-22-14-4-9(5-15-17(14)24-8-23-15)16-11-3-2-10(21)6-13(11)25-18(20)12(16)7-19/h2-6,16,21H,8,20H2,1H3
InChIKeyAXQQFUIYRITDQF-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.35
Rot. Bonds2

About 2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile

2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile (PubChem CID 2837578) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is 2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile
PubChem CID2837578
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile
SMILESCOc1cc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc2c1OCO2
InChIInChI=1S/C18H14N2O5/c1-22-14-4-9(5-15-17(14)24-8-23-15)16-11-3-2-10(21)6-13(11)25-18(20)12(16)7-19/h2-6,16,21H,8,20H2,1H3
InChIKeyAXQQFUIYRITDQF-UHFFFAOYSA-N
XLogP2.35
TPSA106.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-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

US9682910, 4-(Benzo[d][1,3]dioxol-5-ylmethyl)benzene-1,3-diol (10)
CID 13035019
US9682910, 4-(2-(benzo[d][1,3]dioxol-5-ylethyl)benzene-1,3-diol (15)
CID 44611708
2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 9923922
3'-Hydroxy-5-methoxy-3,4-methylenedioxybiphenyl
CID 126216
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
6-amino-8-(3-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 56951977
2-amino-5-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 2842645
2-Amino-7-hydroxy-4-(3-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 604523
2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CID 646737
2-amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 78738043
2-amino-4-(3,4-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 91972340

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile (CID 2837578) is 2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile is COc1cc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc2c1OCO2.
What is the InChIKey of 2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile?
The InChIKey is AXQQFUIYRITDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-22-14-4-9(5-15-17(14)24-8-23-15)16-11-3-2-10(21)6-13(11)25-18(20)12(16)7-19/h2-6,16,21H,8,20H2,1H3.
What are the key properties of 2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile?
2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile has a molecular weight of 338.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-hydroxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 2837578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).