1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone

C17H15ClN2O — CID 143391073

IUPAC1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(Cc2ccnc(C)c2)c2cc(Cl)ccc12
InChIInChI=1S/C17H15ClN2O/c1-11-7-13(5-6-19-11)9-20-10-16(12(2)21)15-4-3-14(18)8-17(15)20/h3-8,10H,9H2,1-2H3
InChIKeyIPDVUYHDDIUXKX-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.25
Rot. Bonds3

About 1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone

1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone (PubChem CID 143391073) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone
PubChem CID143391073
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone
SMILESCC(=O)c1cn(Cc2ccnc(C)c2)c2cc(Cl)ccc12
InChIInChI=1S/C17H15ClN2O/c1-11-7-13(5-6-19-11)9-20-10-16(12(2)21)15-4-3-14(18)8-17(15)20/h3-8,10H,9H2,1-2H3
InChIKeyIPDVUYHDDIUXKX-UHFFFAOYSA-N
XLogP4.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetyl-6-chloroindol-1-yl)-N,N-diethylacetamide
CID 143500326
1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone
CID 143390978
1-[6-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(1H-1,2,4-triazol-5-yl)propane-1,3-dione
CID 90943450
1-(3-acetyl-6-methylindol-1-yl)propan-2-one
CID 126628917
1-[5-bromo-1-[(4-methylphenyl)methyl]indol-3-yl]ethanone
CID 83526142
2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide
CID 22256817
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]indol-3-yl]ethanone
CID 95922052
1-benzyl-5-chloroindole-3-carboxylic acid
CID 10565097
3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide
CID 71117995
4-(1-benzyl-5-chloroindol-3-yl)-4-hydroxybut-3-en-2-one
CID 74062179
N-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide
CID 86763176
2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol
CID 155913572

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone?
The IUPAC name of 1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone (CID 143391073) is 1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone is CC(=O)c1cn(Cc2ccnc(C)c2)c2cc(Cl)ccc12.
What is the InChIKey of 1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone?
The InChIKey is IPDVUYHDDIUXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-7-13(5-6-19-11)9-20-10-16(12(2)21)15-4-3-14(18)8-17(15)20/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone?
1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone has a molecular weight of 298.77 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone is sourced from PubChem (CID 143391073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).