1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one

C15H13ClN2O — CID 116623868

IUPAC1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCn1ccc2c(Cl)cccc21
InChIInChI=1S/C15H13ClN2O/c16-13-4-3-5-14-12(13)7-9-17(14)10-11-18-8-2-1-6-15(18)19/h1-9H,10-11H2
InChIKeyRVZQZMGSUYEISL-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.16
Rot. Bonds3

About 1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one

1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one (PubChem CID 116623868) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one
PubChem CID116623868
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCn1ccc2c(Cl)cccc21
InChIInChI=1S/C15H13ClN2O/c16-13-4-3-5-14-12(13)7-9-17(14)10-11-18-8-2-1-6-15(18)19/h1-9H,10-11H2
InChIKeyRVZQZMGSUYEISL-UHFFFAOYSA-N
XLogP3.16
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one
CID 82899272
4-chloro-1-(3-fluoropropyl)indole
CID 116623866
4-chloro-1-(2-phenoxyethyl)indole
CID 116623510
1-[2-(2,3-dichloroanilino)ethyl]pyridin-2-one
CID 82897843
4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole
CID 114531927
4-chloro-1-(2-propoxyethyl)indole
CID 106458079
4-chloro-1-(3,3-dimethoxypropyl)indole
CID 121393338
4-chloro-1-[2-(trifluoromethoxy)ethyl]indole
CID 116623860
1-[2-(2,4,6-trichloroanilino)ethyl]pyridin-2-one
CID 82897453
4-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole
CID 116623592
methyl (2S)-2-[3-(4-chloroindol-1-yl)propanoylamino]propanoate
CID 91641076
(2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 45496037

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one (CID 116623868) is 1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one is O=c1ccccn1CCn1ccc2c(Cl)cccc21.
What is the InChIKey of 1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one?
The InChIKey is RVZQZMGSUYEISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-13-4-3-5-14-12(13)7-9-17(14)10-11-18-8-2-1-6-15(18)19/h1-9H,10-11H2.
What are the key properties of 1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one?
1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one has a molecular weight of 272.74 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 116623868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).