CID 118592305

C28H24N4O — CID 118592305

IUPAC—
SMILESCN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21C=C[C@H](c2ccccc2)C1
InChIInChI=1S/C28H24N4O/c1-32-26(30)31-28(33-32)25-15-22(21-9-5-6-19(14-21)18-29)10-11-24(25)17-27(28)13-12-23(16-27)20-7-3-2-4-8-20/h2-15,23H,16-17H2,1H3,(H2,30,31)/t23-,27?,28?/m0/s1
InChIKeyJOPWYSAFJDSBLE-GHXQVECXSA-N
MW432.53 g/mol
LogP4.86
Rot. Bonds2

About CID 118592305

CID 118592305 (PubChem CID 118592305) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol.

Molecular Properties

Compound NameCID 118592305
PubChem CID118592305
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC Name—
SMILESCN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21C=C[C@H](c2ccccc2)C1
InChIInChI=1S/C28H24N4O/c1-32-26(30)31-28(33-32)25-15-22(21-9-5-6-19(14-21)18-29)10-11-24(25)17-27(28)13-12-23(16-27)20-7-3-2-4-8-20/h2-15,23H,16-17H2,1H3,(H2,30,31)/t23-,27?,28?/m0/s1
InChIKeyJOPWYSAFJDSBLE-GHXQVECXSA-N
XLogP4.86
TPSA74.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze CID 118592305 with MolForge

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

Launch Full Analysis

Related Compounds

CID 58197266
CID 58197266
CID 58197591
CID 58197591
CID 58424260
CID 58424260
3-(3-amino-2-methyl-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl)benzonitrile
CID 58424550
CID 58197521
CID 58197521
3-[3-amino-2'-(3,4-dihydro-1H-isochromen-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]benzonitrile
CID 58424799
CID 58198171
CID 58198171
3-[(2'R)-3-amino-2-methyl-2'-(2-oxabicyclo[2.2.2]octan-4-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]benzonitrile
CID 58424350
3-[(2'R,5S)-3-amino-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]benzonitrile
CID 58424713
3-[(2'S,5R)-3-amino-2'-(3,4-dihydro-2H-chromen-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]benzonitrile
CID 58424834
3-[(5R)-3-amino-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]benzonitrile;3,4-dihydro-2H-chromene
CID 143944612
CID 118592440
CID 118592440

Frequently Asked Questions

What is the IUPAC name of CID 118592305?
The IUPAC name of CID 118592305 (CID 118592305) is not available.
What is the SMILES notation for CID 118592305?
The canonical SMILES for CID 118592305 is CN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21C=C[C@H](c2ccccc2)C1.
What is the InChIKey of CID 118592305?
The InChIKey is JOPWYSAFJDSBLE-GHXQVECXSA-N. The full InChI is InChI=1S/C28H24N4O/c1-32-26(30)31-28(33-32)25-15-22(21-9-5-6-19(14-21)18-29)10-11-24(25)17-27(28)13-12-23(16-27)20-7-3-2-4-8-20/h2-15,23H,16-17H2,1H3,(H2,30,31)/t23-,27?,28?/m0/s1.
What are the key properties of CID 118592305?
CID 118592305 has a molecular weight of 432.53 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118592305 is sourced from PubChem (CID 118592305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).