4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one

C24H21ClN2O2 — CID 127029759

IUPAC4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one
SMILESCn1c(C2CC2)cc2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cc21
InChIInChI=1S/C24H21ClN2O2/c1-26-22(17-4-5-17)12-18-6-9-20(13-23(18)26)27-11-10-21(14-24(27)28)29-15-16-2-7-19(25)8-3-16/h2-3,6-14,17H,4-5,15H2,1H3
InChIKeyHAFNACMEJSUIQK-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.44
Rot. Bonds5

About 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one

4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one (PubChem CID 127029759) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one
PubChem CID127029759
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC Name4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one
SMILESCn1c(C2CC2)cc2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cc21
InChIInChI=1S/C24H21ClN2O2/c1-26-22(17-4-5-17)12-18-6-9-20(13-23(18)26)27-11-10-21(14-24(27)28)29-15-16-2-7-19(25)8-3-16/h2-3,6-14,17H,4-5,15H2,1H3
InChIKeyHAFNACMEJSUIQK-UHFFFAOYSA-N
XLogP5.44
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one (CID 127029759) is 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one is Cn1c(C2CC2)cc2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cc21.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one?
The InChIKey is HAFNACMEJSUIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-26-22(17-4-5-17)12-18-6-9-20(13-23(18)26)27-11-10-21(14-24(27)28)29-15-16-2-7-19(25)8-3-16/h2-3,6-14,17H,4-5,15H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one?
4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one has a molecular weight of 404.90 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-1-methylindol-6-yl)pyridin-2-one is sourced from PubChem (CID 127029759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).