2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one

C21H20N2O2S — CID 178074985

IUPAC2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one
SMILESCOc1ccc(C2=NC(=O)C3(Cc4ccccc4N4CCCC43)S2)cc1
InChIInChI=1S/C21H20N2O2S/c1-25-16-10-8-14(9-11-16)19-22-20(24)21(26-19)13-15-5-2-3-6-17(15)23-12-4-7-18(21)23/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3
InChIKeyFCYGUKTYOUUMCR-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.68
Rot. Bonds2

About 2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one

2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one (PubChem CID 178074985) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one
PubChem CID178074985
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one
SMILESCOc1ccc(C2=NC(=O)C3(Cc4ccccc4N4CCCC43)S2)cc1
InChIInChI=1S/C21H20N2O2S/c1-25-16-10-8-14(9-11-16)19-22-20(24)21(26-19)13-15-5-2-3-6-17(15)23-12-4-7-18(21)23/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3
InChIKeyFCYGUKTYOUUMCR-UHFFFAOYSA-N
XLogP3.68
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one
CID 178074998
spiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,2'-cyclohexane]-1',3'-dione
CID 11380195
(3aR)-5',5'-dimethylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,2'-cyclohexane]-1',3'-dione
CID 7678233
1-(4-acetyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinolin-4-yl)ethanone
CID 164667773
methyl (3aS,4S)-2'-oxospiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole]-1'-carboxylate
CID 135031745
(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)-5'-methyl-2'-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one
CID 17037066
(4aR,5R)-1'-(3-methoxypropyl)spiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione
CID 11921548
(4'aR,5S)-1-(2-methoxyethyl)-3'-(4-methoxyphenyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
CID 100867232
(3aR,4R)-4-cyano-N-(3-methoxyphenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4-carboxamide
CID 11919026
(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
(3'aS,5S)-1-[2-(3,4-dimethoxyphenyl)ethyl]spiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
CID 100884924

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one?
The IUPAC name of 2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one (CID 178074985) is 2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one is COc1ccc(C2=NC(=O)C3(Cc4ccccc4N4CCCC43)S2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one?
The InChIKey is FCYGUKTYOUUMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-25-16-10-8-14(9-11-16)19-22-20(24)21(26-19)13-15-5-2-3-6-17(15)23-12-4-7-18(21)23/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one?
2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one has a molecular weight of 364.47 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one is sourced from PubChem (CID 178074985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).