2-amino-7-(dimethylamino)-4-(3-phenylmethoxyphenyl)-4H-chromene-3-carbonitrile

C25H23N3O2 — CID 11361490

IUPAC2-amino-7-(dimethylamino)-4-(3-phenylmethoxyphenyl)-4H-chromene-3-carbonitrile
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H23N3O2/c1-28(2)19-11-12-21-23(14-19)30-25(27)22(15-26)24(21)18-9-6-10-20(13-18)29-16-17-7-4-3-5-8-17/h3-14,24H,16,27H2,1-2H3
InChIKeyXXIREWVZTCHLRV-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.55
Rot. Bonds5

About 2-amino-7-(dimethylamino)-4-(3-phenylmethoxyphenyl)-4H-chromene-3-carbonitrile

2-amino-7-(dimethylamino)-4-(3-phenylmethoxyphenyl)-4H-chromene-3-carbonitrile (PubChem CID 11361490) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-amino-7-(dimethylamino)-4-(3-phenylmethoxyphenyl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-(dimethylamino)-4-(3-phenylmethoxyphenyl)-4H-chromene-3-carbonitrile
PubChem CID11361490
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name2-amino-7-(dimethylamino)-4-(3-phenylmethoxyphenyl)-4H-chromene-3-carbonitrile
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H23N3O2/c1-28(2)19-11-12-21-23(14-19)30-25(27)22(15-26)24(21)18-9-6-10-20(13-18)29-16-17-7-4-3-5-8-17/h3-14,24H,16,27H2,1-2H3
InChIKeyXXIREWVZTCHLRV-UHFFFAOYSA-N
XLogP4.55
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(dimethylamino)-4-(3-phenylmethoxyphenyl)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-(dimethylamino)-4-(3-phenylmethoxyphenyl)-4H-chromene-3-carbonitrile (CID 11361490) is 2-amino-7-(dimethylamino)-4-(3-phenylmethoxyphenyl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-(dimethylamino)-4-(3-phenylmethoxyphenyl)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-(dimethylamino)-4-(3-phenylmethoxyphenyl)-4H-chromene-3-carbonitrile is CN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-amino-7-(dimethylamino)-4-(3-phenylmethoxyphenyl)-4H-chromene-3-carbonitrile?
The InChIKey is XXIREWVZTCHLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-28(2)19-11-12-21-23(14-19)30-25(27)22(15-26)24(21)18-9-6-10-20(13-18)29-16-17-7-4-3-5-8-17/h3-14,24H,16,27H2,1-2H3.
What are the key properties of 2-amino-7-(dimethylamino)-4-(3-phenylmethoxyphenyl)-4H-chromene-3-carbonitrile?
2-amino-7-(dimethylamino)-4-(3-phenylmethoxyphenyl)-4H-chromene-3-carbonitrile has a molecular weight of 397.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(dimethylamino)-4-(3-phenylmethoxyphenyl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 11361490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).