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

C20H17ClN2OS — CID 178074998

IUPAC2-(3-chlorophenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one
SMILESO=C1N=C(c2cccc(Cl)c2)SC12Cc1ccccc1N1CCCC12
InChIInChI=1S/C20H17ClN2OS/c21-15-7-3-6-13(11-15)18-22-19(24)20(25-18)12-14-5-1-2-8-16(14)23-10-4-9-17(20)23/h1-3,5-8,11,17H,4,9-10,12H2
InChIKeyLZPGDELEQZKCEI-UHFFFAOYSA-N
MW368.89 g/mol
LogP4.32
Rot. Bonds1

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

2-(3-chlorophenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one (PubChem CID 178074998) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one
PubChem CID178074998
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC Name2-(3-chlorophenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one
SMILESO=C1N=C(c2cccc(Cl)c2)SC12Cc1ccccc1N1CCCC12
InChIInChI=1S/C20H17ClN2OS/c21-15-7-3-6-13(11-15)18-22-19(24)20(25-18)12-14-5-1-2-8-16(14)23-10-4-9-17(20)23/h1-3,5-8,11,17H,4,9-10,12H2
InChIKeyLZPGDELEQZKCEI-UHFFFAOYSA-N
XLogP4.32
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one
CID 178074985
spiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,2'-cyclohexane]-1',3'-dione
CID 11380195
(3'aR)-spiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
CID 2037810
(3aR)-5',5'-dimethylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,2'-cyclohexane]-1',3'-dione
CID 7678233
8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole]
CID 122399624
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
(3'aR,5S)-1-(4-fluorophenyl)spiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
CID 7678416
(4aS)-1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile
CID 40921499
1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile
CID 11064422
1-phenylspiro[1,3-diazinane-5,6'-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline]-2,4,6-trione
CID 17037322
(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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one?
The IUPAC name of 2-(3-chlorophenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one (CID 178074998) is 2-(3-chlorophenyl)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-(3-chlorophenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one?
The canonical SMILES for 2-(3-chlorophenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one is O=C1N=C(c2cccc(Cl)c2)SC12Cc1ccccc1N1CCCC12.
What is the InChIKey of 2-(3-chlorophenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one?
The InChIKey is LZPGDELEQZKCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c21-15-7-3-6-13(11-15)18-22-19(24)20(25-18)12-14-5-1-2-8-16(14)23-10-4-9-17(20)23/h1-3,5-8,11,17H,4,9-10,12H2.
What are the key properties of 2-(3-chlorophenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one?
2-(3-chlorophenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one has a molecular weight of 368.89 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one is sourced from PubChem (CID 178074998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).