2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile

C19H18N2O5 — CID 3381736

IUPAC2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile
SMILESCOc1cc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc(OC)c1OC
InChIInChI=1S/C19H18N2O5/c1-23-15-6-10(7-16(24-2)18(15)25-3)17-12-5-4-11(22)8-14(12)26-19(21)13(17)9-20/h4-8,17,22H,21H2,1-3H3
InChIKeyTWSVURCWPHWPRC-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.64
Rot. Bonds4

About 2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile

2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile (PubChem CID 3381736) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile
PubChem CID3381736
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile
SMILESCOc1cc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc(OC)c1OC
InChIInChI=1S/C19H18N2O5/c1-23-15-6-10(7-16(24-2)18(15)25-3)17-12-5-4-11(22)8-14(12)26-19(21)13(17)9-20/h4-8,17,22H,21H2,1-3H3
InChIKeyTWSVURCWPHWPRC-UHFFFAOYSA-N
XLogP2.64
TPSA106.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile (CID 3381736) is 2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile is COc1cc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc(OC)c1OC.
What is the InChIKey of 2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile?
The InChIKey is TWSVURCWPHWPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-23-15-6-10(7-16(24-2)18(15)25-3)17-12-5-4-11(22)8-14(12)26-19(21)13(17)9-20/h4-8,17,22H,21H2,1-3H3.
What are the key properties of 2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile?
2-amino-7-hydroxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile has a molecular weight of 354.36 g/mol, XLogP of 2.64, 4 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-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 3381736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).