1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-ylethanone

C16H14N2O2 — CID 53319675

IUPAC1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-ylethanone
SMILESCOc1cccc2cc(C(=O)Cc3cccnc3)[nH]c12
InChIInChI=1S/C16H14N2O2/c1-20-15-6-2-5-12-9-13(18-16(12)15)14(19)8-11-4-3-7-17-10-11/h2-7,9-10,18H,8H2,1H3
InChIKeyAJBZILMEHFPPJY-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.00
Rot. Bonds4

About 1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-ylethanone

1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-ylethanone (PubChem CID 53319675) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-ylethanone
PubChem CID53319675
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-ylethanone
SMILESCOc1cccc2cc(C(=O)Cc3cccnc3)[nH]c12
InChIInChI=1S/C16H14N2O2/c1-20-15-6-2-5-12-9-13(18-16(12)15)14(19)8-11-4-3-7-17-10-11/h2-7,9-10,18H,8H2,1H3
InChIKeyAJBZILMEHFPPJY-UHFFFAOYSA-N
XLogP3.00
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65914
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CID 115210
Murrayanine
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methyl 1-methoxy-9H-carbazole-3-carboxylate
CID 5319913
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
Arenarine C
CID 188439
3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline
CID 3081087
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
Mukolidine
CID 53465568
D-64131
CID 3921152
3-(7-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327692

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-ylethanone (CID 53319675) is 1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-ylethanone is COc1cccc2cc(C(=O)Cc3cccnc3)[nH]c12.
What is the InChIKey of 1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-ylethanone?
The InChIKey is AJBZILMEHFPPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-15-6-2-5-12-9-13(18-16(12)15)14(19)8-11-4-3-7-17-10-11/h2-7,9-10,18H,8H2,1H3.
What are the key properties of 1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-ylethanone?
1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-ylethanone has a molecular weight of 266.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 53319675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).