2-amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile

C22H24N4O — CID 155814126

IUPAC2-amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1ccc2c(c1)CCCN2C
InChIInChI=1S/C22H24N4O/c1-25(2)16-7-8-17-20(12-16)27-22(24)18(13-23)21(17)15-6-9-19-14(11-15)5-4-10-26(19)3/h6-9,11-12,21H,4-5,10,24H2,1-3H3
InChIKeyNWUGXHNOQBPZTO-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.35
Rot. Bonds2

About 2-amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile

2-amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile (PubChem CID 155814126) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile
PubChem CID155814126
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1ccc2c(c1)CCCN2C
InChIInChI=1S/C22H24N4O/c1-25(2)16-7-8-17-20(12-16)27-22(24)18(13-23)21(17)15-6-9-19-14(11-15)5-4-10-26(19)3/h6-9,11-12,21H,4-5,10,24H2,1-3H3
InChIKeyNWUGXHNOQBPZTO-UHFFFAOYSA-N
XLogP3.35
TPSA65.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.35
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-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile (CID 155814126) is 2-amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile is CN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1ccc2c(c1)CCCN2C.
What is the InChIKey of 2-amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile?
The InChIKey is NWUGXHNOQBPZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-25(2)16-7-8-17-20(12-16)27-22(24)18(13-23)21(17)15-6-9-19-14(11-15)5-4-10-26(19)3/h6-9,11-12,21H,4-5,10,24H2,1-3H3.
What are the key properties of 2-amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile?
2-amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile has a molecular weight of 360.46 g/mol, XLogP of 3.35, 2 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-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 155814126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).