5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one

C18H14ClN3O — CID 46867388

IUPAC5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
SMILESO=C1Nc2ccc(Cl)cc2C12NCCc1c2[nH]c2ccccc12
InChIInChI=1S/C18H14ClN3O/c19-10-5-6-15-13(9-10)18(17(23)22-15)16-12(7-8-20-18)11-3-1-2-4-14(11)21-16/h1-6,9,20-21H,7-8H2,(H,22,23)
InChIKeyJFILWMATMYCABN-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.16
Rot. Bonds

About 5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one

5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one (PubChem CID 46867388) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one.

Molecular Properties

Compound Name5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
PubChem CID46867388
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
SMILESO=C1Nc2ccc(Cl)cc2C12NCCc1c2[nH]c2ccccc12
InChIInChI=1S/C18H14ClN3O/c19-10-5-6-15-13(9-10)18(17(23)22-15)16-12(7-8-20-18)11-3-1-2-4-14(11)21-16/h1-6,9,20-21H,7-8H2,(H,22,23)
InChIKeyJFILWMATMYCABN-UHFFFAOYSA-N
XLogP3.16
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one with MolForge

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Related Compounds

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(5-chloro-1H-indol-2-yl)(piperazino)methanone
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(5-chloro-1H-indol-2-yl)(piperazino)methanone
CID 21638785
5-chloro-N-(4-(4-(2,4-dichlorophenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10367857
5-chloro-N-(4-(4-(2,4-dichlorophenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10367857

Frequently Asked Questions

What is the IUPAC name of 5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one?
The IUPAC name of 5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one (CID 46867388) is 5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one.
What is the SMILES notation for 5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one?
The canonical SMILES for 5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one is O=C1Nc2ccc(Cl)cc2C12NCCc1c2[nH]c2ccccc12.
What is the InChIKey of 5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one?
The InChIKey is JFILWMATMYCABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-10-5-6-15-13(9-10)18(17(23)22-15)16-12(7-8-20-18)11-3-1-2-4-14(11)21-16/h1-6,9,20-21H,7-8H2,(H,22,23).
What are the key properties of 5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one?
5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one has a molecular weight of 323.78 g/mol, XLogP of 3.16, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one is sourced from PubChem (CID 46867388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).