(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone

C18H13ClN2O2 — CID 11688408

IUPAC(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)c3cc4ccc(Cl)cc4[nH]3)cc2c1
InChIInChI=1S/C18H13ClN2O2/c1-23-13-4-5-14-11(6-13)8-17(20-14)18(22)16-7-10-2-3-12(19)9-15(10)21-16/h2-9,20-21H,1H3
InChIKeyKIMDGYAOGPHBKP-UHFFFAOYSA-N
MW324.77 g/mol
LogP4.54
Rot. Bonds3

About (6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone

(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 11688408) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is (6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID11688408
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC Name(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)c3cc4ccc(Cl)cc4[nH]3)cc2c1
InChIInChI=1S/C18H13ClN2O2/c1-23-13-4-5-14-11(6-13)8-17(20-14)18(22)16-7-10-2-3-12(19)9-15(10)21-16/h2-9,20-21H,1H3
InChIKeyKIMDGYAOGPHBKP-UHFFFAOYSA-N
XLogP4.54
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
(E)-1-(4-chlorophenyl)-N-iodo-1-(5-methoxy-1H-indol-2-yl)methanimine
CID 142217244
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one
CID 67007557
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207539
5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55579430
N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide
CID 123205970
cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
CID 10955347
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207205
6-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
CID 55628624

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of (6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone (CID 11688408) is (6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone is COc1ccc2[nH]c(C(=O)c3cc4ccc(Cl)cc4[nH]3)cc2c1.
What is the InChIKey of (6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is KIMDGYAOGPHBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c1-23-13-4-5-14-11(6-13)8-17(20-14)18(22)16-7-10-2-3-12(19)9-15(10)21-16/h2-9,20-21H,1H3.
What are the key properties of (6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone?
(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 324.77 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 11688408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).