8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole]

C20H19ClN2 — CID 122399624

IUPAC8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole]
SMILESCC1=Nc2ccccc2C12Cc1ccc(Cl)cc1N1CCCC12
InChIInChI=1S/C20H19ClN2/c1-13-20(16-5-2-3-6-17(16)22-13)12-14-8-9-15(21)11-18(14)23-10-4-7-19(20)23/h2-3,5-6,8-9,11,19H,4,7,10,12H2,1H3
InChIKeyHXLLWOJVURCNSX-UHFFFAOYSA-N
MW322.84 g/mol
LogP4.91
Rot. Bonds

About 8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole]

8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole] (PubChem CID 122399624) has the molecular formula C20H19ClN2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole].

Molecular Properties

Compound Name8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole]
PubChem CID122399624
Molecular FormulaC20H19ClN2
Molecular Weight322.84 g/mol
Exact Mass322.12
IUPAC Name8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole]
SMILESCC1=Nc2ccccc2C12Cc1ccc(Cl)cc1N1CCCC12
InChIInChI=1S/C20H19ClN2/c1-13-20(16-5-2-3-6-17(16)22-13)12-14-8-9-15(21)11-18(14)23-10-4-7-19(20)23/h2-3,5-6,8-9,11,19H,4,7,10,12H2,1H3
InChIKeyHXLLWOJVURCNSX-UHFFFAOYSA-N
XLogP4.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole] 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

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
2-(3-chlorophenyl)spiro[1,3-thiazole-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4-one
CID 178074998
(3R,4aR)-3-benzyl-9-chlorospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,2'-cyclohexane]-1',3'-dione
CID 92525319
3-benzyl-9-chloro-5'-methyl-2'-phenylspiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,4'-pyrazole]-3'-one
CID 17037072
(3S,4aR)-9-chloro-1',3,3'-triphenylspiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione
CID 124528236
9-chloro-5'-methyl-2'-phenyl-3-pyrimidin-2-ylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one
CID 17037077
(4aS,5R)-9-chloro-5'-methyl-2'-phenyl-3-pyrimidin-2-ylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one
CID 92823684
(4aR,5S)-9-chloro-5'-methyl-2'-phenyl-3-pyrimidin-2-ylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,4'-pyrazole]-3'-one
CID 124811910
(3S,4aR,5S)-3-benzyl-9-chloro-2'-(4-chlorophenyl)-5'-methylspiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,4'-pyrazole]-3'-one
CID 124528210
methyl (3aS,4S)-2'-oxospiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole]-1'-carboxylate
CID 135031745

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole]?
The IUPAC name of 8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole] (CID 122399624) is 8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole].
What is the SMILES notation for 8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole]?
The canonical SMILES for 8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole] is CC1=Nc2ccccc2C12Cc1ccc(Cl)cc1N1CCCC12.
What is the InChIKey of 8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole]?
The InChIKey is HXLLWOJVURCNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2/c1-13-20(16-5-2-3-6-17(16)22-13)12-14-8-9-15(21)11-18(14)23-10-4-7-19(20)23/h2-3,5-6,8-9,11,19H,4,7,10,12H2,1H3.
What are the key properties of 8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole]?
8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole] has a molecular weight of 322.84 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2'-methylspiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,3'-indole] is sourced from PubChem (CID 122399624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).