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

C18H14ClN3O — CID 70667729

IUPAC(3R)-5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@]12NCCc1c2[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)/t18-/m1/s1
InChIKeyJFILWMATMYCABN-GOSISDBHSA-N
MW323.78 g/mol
LogP3.16
Rot. Bonds

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

(3R)-5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one (PubChem CID 70667729) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is (3R)-5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one.

Molecular Properties

Compound Name(3R)-5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
PubChem CID70667729
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name(3R)-5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@]12NCCc1c2[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)/t18-/m1/s1
InChIKeyJFILWMATMYCABN-GOSISDBHSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one?
The IUPAC name of (3R)-5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one (CID 70667729) is (3R)-5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one.
What is the SMILES notation for (3R)-5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one?
The canonical SMILES for (3R)-5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one is O=C1Nc2ccc(Cl)cc2[C@]12NCCc1c2[nH]c2ccccc12.
What is the InChIKey of (3R)-5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one?
The InChIKey is JFILWMATMYCABN-GOSISDBHSA-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)/t18-/m1/s1.
What are the key properties of (3R)-5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one?
(3R)-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 (3R)-5-chlorospiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one is sourced from PubChem (CID 70667729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).