2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile

C28H24N4O2 — CID 54753430

IUPAC2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
SMILESCc1ccc2nc(N3CCOCC3)c(C3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1
InChIInChI=1S/C28H24N4O2/c1-17-6-9-24-19(14-17)15-22(28(31-24)32-10-12-33-13-11-32)25-21-8-7-18-4-2-3-5-20(18)26(21)34-27(30)23(25)16-29/h2-9,14-15,25H,10-13,30H2,1H3
InChIKeyFRGMRSIDDFYOMG-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.75
Rot. Bonds2

About 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile

2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile (PubChem CID 54753430) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
PubChem CID54753430
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile
SMILESCc1ccc2nc(N3CCOCC3)c(C3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1
InChIInChI=1S/C28H24N4O2/c1-17-6-9-24-19(14-17)15-22(28(31-24)32-10-12-33-13-11-32)25-21-8-7-18-4-2-3-5-20(18)26(21)34-27(30)23(25)16-29/h2-9,14-15,25H,10-13,30H2,1H3
InChIKeyFRGMRSIDDFYOMG-UHFFFAOYSA-N
XLogP4.75
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile (CID 54753430) is 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile is Cc1ccc2nc(N3CCOCC3)c(C3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1.
What is the InChIKey of 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile?
The InChIKey is FRGMRSIDDFYOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-17-6-9-24-19(14-17)15-22(28(31-24)32-10-12-33-13-11-32)25-21-8-7-18-4-2-3-5-20(18)26(21)34-27(30)23(25)16-29/h2-9,14-15,25H,10-13,30H2,1H3.
What are the key properties of 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile?
2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile has a molecular weight of 448.53 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(6-methyl-2-morpholin-4-ylquinolin-3-yl)-4H-benzo[h]chromene-3-carbonitrile is sourced from PubChem (CID 54753430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).