2-amino-7-(dimethylamino)-4-[4-(dimethylamino)naphthalen-1-yl]-4H-chromene-3-carbonitrile

C24H24N4O — CID 53357723

IUPAC2-amino-7-(dimethylamino)-4-[4-(dimethylamino)naphthalen-1-yl]-4H-chromene-3-carbonitrile
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1ccc(N(C)C)c2ccccc12
InChIInChI=1S/C24H24N4O/c1-27(2)15-9-10-19-22(13-15)29-24(26)20(14-25)23(19)18-11-12-21(28(3)4)17-8-6-5-7-16(17)18/h5-13,23H,26H2,1-4H3
InChIKeyXWCSZMDVKNZVMD-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.19
Rot. Bonds3

About 2-amino-7-(dimethylamino)-4-[4-(dimethylamino)naphthalen-1-yl]-4H-chromene-3-carbonitrile

2-amino-7-(dimethylamino)-4-[4-(dimethylamino)naphthalen-1-yl]-4H-chromene-3-carbonitrile (PubChem CID 53357723) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-amino-7-(dimethylamino)-4-[4-(dimethylamino)naphthalen-1-yl]-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-(dimethylamino)-4-[4-(dimethylamino)naphthalen-1-yl]-4H-chromene-3-carbonitrile
PubChem CID53357723
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-amino-7-(dimethylamino)-4-[4-(dimethylamino)naphthalen-1-yl]-4H-chromene-3-carbonitrile
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1ccc(N(C)C)c2ccccc12
InChIInChI=1S/C24H24N4O/c1-27(2)15-9-10-19-22(13-15)29-24(26)20(14-25)23(19)18-11-12-21(28(3)4)17-8-6-5-7-16(17)18/h5-13,23H,26H2,1-4H3
InChIKeyXWCSZMDVKNZVMD-UHFFFAOYSA-N
XLogP4.19
TPSA65.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(dimethylamino)-4-[4-(dimethylamino)naphthalen-1-yl]-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-(dimethylamino)-4-[4-(dimethylamino)naphthalen-1-yl]-4H-chromene-3-carbonitrile (CID 53357723) is 2-amino-7-(dimethylamino)-4-[4-(dimethylamino)naphthalen-1-yl]-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-(dimethylamino)-4-[4-(dimethylamino)naphthalen-1-yl]-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-(dimethylamino)-4-[4-(dimethylamino)naphthalen-1-yl]-4H-chromene-3-carbonitrile is CN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1ccc(N(C)C)c2ccccc12.
What is the InChIKey of 2-amino-7-(dimethylamino)-4-[4-(dimethylamino)naphthalen-1-yl]-4H-chromene-3-carbonitrile?
The InChIKey is XWCSZMDVKNZVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-27(2)15-9-10-19-22(13-15)29-24(26)20(14-25)23(19)18-11-12-21(28(3)4)17-8-6-5-7-16(17)18/h5-13,23H,26H2,1-4H3.
What are the key properties of 2-amino-7-(dimethylamino)-4-[4-(dimethylamino)naphthalen-1-yl]-4H-chromene-3-carbonitrile?
2-amino-7-(dimethylamino)-4-[4-(dimethylamino)naphthalen-1-yl]-4H-chromene-3-carbonitrile has a molecular weight of 384.48 g/mol, XLogP of 4.19, 3 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-[4-(dimethylamino)naphthalen-1-yl]-4H-chromene-3-carbonitrile is sourced from PubChem (CID 53357723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).