(6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone

C15H12ClNO2S — CID 116651031

IUPAC(6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2cn(C)c3cc(Cl)ccc23)c1
InChIInChI=1S/C15H12ClNO2S/c1-17-7-12(11-4-3-9(16)5-13(11)17)15(18)14-6-10(19-2)8-20-14/h3-8H,1-2H3
InChIKeyXXCYWXMFCMEOJG-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.13
Rot. Bonds3

About (6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone

(6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone (PubChem CID 116651031) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is (6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone
PubChem CID116651031
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC Name(6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2cn(C)c3cc(Cl)ccc23)c1
InChIInChI=1S/C15H12ClNO2S/c1-17-7-12(11-4-3-9(16)5-13(11)17)15(18)14-6-10(19-2)8-20-14/h3-8H,1-2H3
InChIKeyXXCYWXMFCMEOJG-UHFFFAOYSA-N
XLogP4.13
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone
CID 116651038
(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone
CID 116650948
(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 116651068
(6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone
CID 116651047
(2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81126532
(2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127133
(2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 115483503
(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone
CID 81127341
(6-chloro-1-methylindol-3-yl)-cycloheptylmethanone
CID 116651040
2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one
CID 162765497
4-chloro-2-[(4-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81117783
1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one
CID 116650978

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone?
The IUPAC name of (6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone (CID 116651031) is (6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone?
The canonical SMILES for (6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone is COc1csc(C(=O)c2cn(C)c3cc(Cl)ccc23)c1.
What is the InChIKey of (6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone?
The InChIKey is XXCYWXMFCMEOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c1-17-7-12(11-4-3-9(16)5-13(11)17)15(18)14-6-10(19-2)8-20-14/h3-8H,1-2H3.
What are the key properties of (6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone?
(6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone has a molecular weight of 305.79 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 116651031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).