7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C25H23ClN2O5 — CID 18867762

IUPAC7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCCOC
InChIInChI=1S/C25H23ClN2O5/c1-3-11-27-18-8-5-4-7-17(18)25(24(27)31)20-21(29)16-14-15(26)9-10-19(16)33-22(20)23(30)28(25)12-6-13-32-2/h4-5,7-10,14H,3,6,11-13H2,1-2H3
InChIKeyCMMVGQIRRGTJGF-UHFFFAOYSA-N
MW466.92 g/mol
LogP3.94
Rot. Bonds6

About 7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18867762) has the molecular formula C25H23ClN2O5 and a molecular weight of 466.92 g/mol. Its IUPAC name is 7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18867762
Molecular FormulaC25H23ClN2O5
Molecular Weight466.92 g/mol
Exact Mass466.13
IUPAC Name7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCCOC
InChIInChI=1S/C25H23ClN2O5/c1-3-11-27-18-8-5-4-7-17(18)25(24(27)31)20-21(29)16-14-15(26)9-10-19(16)33-22(20)23(30)28(25)12-6-13-32-2/h4-5,7-10,14H,3,6,11-13H2,1-2H3
InChIKeyCMMVGQIRRGTJGF-UHFFFAOYSA-N
XLogP3.94
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.92
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-1'-ethyl-2-(3-methoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 4300237
1'-benzyl-7-chloro-2-(3-methoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867833
7-chloro-1'-ethyl-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 3316444
(1S)-7-chloro-1'-[(4-fluorophenyl)methyl]-2-(3-methoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 94854890
2-butyl-7-chloro-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 2980273
2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 4208981
1'-benzyl-7-chloro-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867839
(1R)-1'-ethyl-2-(3-methoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 2234528
(1S)-1'-ethyl-2-(3-methoxypropyl)-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 41068067
7-methyl-1',2-dipropylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868751
7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867761
(1S)-7-fluoro-2-(3-methoxypropyl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 41068060

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18867762) is 7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CCCOC.
What is the InChIKey of 7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is CMMVGQIRRGTJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O5/c1-3-11-27-18-8-5-4-7-17(18)25(24(27)31)20-21(29)16-14-15(26)9-10-19(16)33-22(20)23(30)28(25)12-6-13-32-2/h4-5,7-10,14H,3,6,11-13H2,1-2H3.
What are the key properties of 7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 466.92 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18867762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).