2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile

C18H16N2O3 — CID 102565298

IUPAC2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3cc(OC)ccc32)cc1
InChIInChI=1S/C18H16N2O3/c1-21-12-5-3-11(4-6-12)17-14-8-7-13(22-2)9-16(14)23-18(20)15(17)10-19/h3-9,17H,20H2,1-2H3
InChIKeyWLPWVCJUUAAWQU-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.92
Rot. Bonds3

About 2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile

2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile (PubChem CID 102565298) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile
PubChem CID102565298
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3cc(OC)ccc32)cc1
InChIInChI=1S/C18H16N2O3/c1-21-12-5-3-11(4-6-12)17-14-8-7-13(22-2)9-16(14)23-18(20)15(17)10-19/h3-9,17H,20H2,1-2H3
InChIKeyWLPWVCJUUAAWQU-UHFFFAOYSA-N
XLogP2.92
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile (CID 102565298) is 2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile is COc1ccc(C2C(C#N)=C(N)Oc3cc(OC)ccc32)cc1.
What is the InChIKey of 2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile?
The InChIKey is WLPWVCJUUAAWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-21-12-5-3-11(4-6-12)17-14-8-7-13(22-2)9-16(14)23-18(20)15(17)10-19/h3-9,17H,20H2,1-2H3.
What are the key properties of 2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile?
2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile has a molecular weight of 308.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 102565298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).