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

C20H20N2O5 — CID 10109587

IUPAC2-amino-7-methoxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile
SMILESCOc1ccc2c(c1)OC(N)=C(C#N)C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H20N2O5/c1-23-12-5-6-13-15(9-12)27-20(22)14(10-21)18(13)11-7-16(24-2)19(26-4)17(8-11)25-3/h5-9,18H,22H2,1-4H3
InChIKeyMZLUGYPKQSBGDQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.94
Rot. Bonds5

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

2-amino-7-methoxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile (PubChem CID 10109587) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-amino-7-methoxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methoxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile
PubChem CID10109587
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-amino-7-methoxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile
SMILESCOc1ccc2c(c1)OC(N)=C(C#N)C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H20N2O5/c1-23-12-5-6-13-15(9-12)27-20(22)14(10-21)18(13)11-7-16(24-2)19(26-4)17(8-11)25-3/h5-9,18H,22H2,1-4H3
InChIKeyMZLUGYPKQSBGDQ-UHFFFAOYSA-N
XLogP2.94
TPSA95.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methoxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-methoxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile (CID 10109587) is 2-amino-7-methoxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methoxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-methoxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile is COc1ccc2c(c1)OC(N)=C(C#N)C2c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-amino-7-methoxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile?
The InChIKey is MZLUGYPKQSBGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-23-12-5-6-13-15(9-12)27-20(22)14(10-21)18(13)11-7-16(24-2)19(26-4)17(8-11)25-3/h5-9,18H,22H2,1-4H3.
What are the key properties of 2-amino-7-methoxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile?
2-amino-7-methoxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile has a molecular weight of 368.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methoxy-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 10109587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).