(4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one

C26H22N2O3 — CID 102103537

IUPAC(4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one
SMILESCOc1ccc(C2=N[C@@]3(Cc4ccccc4N4CCc5ccccc5[C@@H]43)C(=O)O2)cc1
InChIInChI=1S/C26H22N2O3/c1-30-20-12-10-18(11-13-20)24-27-26(25(29)31-24)16-19-7-3-5-9-22(19)28-15-14-17-6-2-4-8-21(17)23(26)28/h2-13,23H,14-16H2,1H3/t23-,26-/m1/s1
InChIKeyOXRDUIZBILKNDJ-ZEQKJWHPSA-N
MW410.47 g/mol
LogP4.10
Rot. Bonds2

About (4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one

(4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one (PubChem CID 102103537) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is (4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one.

Molecular Properties

Compound Name(4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one
PubChem CID102103537
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name(4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one
SMILESCOc1ccc(C2=N[C@@]3(Cc4ccccc4N4CCc5ccccc5[C@@H]43)C(=O)O2)cc1
InChIInChI=1S/C26H22N2O3/c1-30-20-12-10-18(11-13-20)24-27-26(25(29)31-24)16-19-7-3-5-9-22(19)28-15-14-17-6-2-4-8-21(17)23(26)28/h2-13,23H,14-16H2,1H3/t23-,26-/m1/s1
InChIKeyOXRDUIZBILKNDJ-ZEQKJWHPSA-N
XLogP4.10
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one 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

(2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 832362
(11bR)-2-(4-methoxyphenyl)sulfonyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 51709753
(5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 124647171
phenyl (4R)-2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
CID 101263641
2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one
CID 178074985
(2'R,3'R,4S,10'bR)-3'-(2,2-dimethylpropanoyl)-2'-(4-methoxyphenyl)-2-phenylspiro[1,3-oxazole-4,1'-3,10b-dihydro-2H-pyrrolo[2,1-a]phthalazine]-5-one
CID 26891645
(3R,5'R)-1-acetyl-2'-[4-(3-hydroxypropoxy)phenyl]-5'-(3-methoxyphenyl)spiro[4H-quinoline-3,4'-5H-1,3-oxazole]-2-one
CID 23976212
(3R,5'R)-2'-[4-(3-hydroxypropoxy)phenyl]-5'-methyl-1-propylspiro[4H-quinoline-3,4'-5H-1,3-oxazole]-2-one
CID 23749361
(4R)-4-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one
CID 135015518
(4aR,5S)-3-(4-methoxyphenyl)-5'-methyl-2'-(4-methylphenyl)spiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one
CID 92823715
3-(4-methoxyphenyl)-3a,4,5,9b-tetrahydrobenzo[g][1,2]benzoxazole
CID 71398420
benzyl 2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
CID 132566513

Frequently Asked Questions

What is the IUPAC name of (4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one?
The IUPAC name of (4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one (CID 102103537) is (4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one.
What is the SMILES notation for (4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one?
The canonical SMILES for (4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one is COc1ccc(C2=N[C@@]3(Cc4ccccc4N4CCc5ccccc5[C@@H]43)C(=O)O2)cc1.
What is the InChIKey of (4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one?
The InChIKey is OXRDUIZBILKNDJ-ZEQKJWHPSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-30-20-12-10-18(11-13-20)24-27-26(25(29)31-24)16-19-7-3-5-9-22(19)28-15-14-17-6-2-4-8-21(17)23(26)28/h2-13,23H,14-16H2,1H3/t23-,26-/m1/s1.
What are the key properties of (4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one?
(4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one has a molecular weight of 410.47 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,11'bR)-2-(4-methoxyphenyl)spiro[1,3-oxazole-4,12'-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoline]-5-one is sourced from PubChem (CID 102103537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).