methyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate

C20H19ClN2O3 — CID 23003395

IUPACmethyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate
SMILESCCCc1ccnc(C(=O)c2[nH]c3ccc(Cl)cc3c2CC(=O)OC)c1
InChIInChI=1S/C20H19ClN2O3/c1-3-4-12-7-8-22-17(9-12)20(25)19-15(11-18(24)26-2)14-10-13(21)5-6-16(14)23-19/h5-10,23H,3-4,11H2,1-2H3
InChIKeySKZPHUUTOZJTSU-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.12
Rot. Bonds6

About methyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate

methyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate (PubChem CID 23003395) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is methyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate
PubChem CID23003395
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Namemethyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate
SMILESCCCc1ccnc(C(=O)c2[nH]c3ccc(Cl)cc3c2CC(=O)OC)c1
InChIInChI=1S/C20H19ClN2O3/c1-3-4-12-7-8-22-17(9-12)20(25)19-15(11-18(24)26-2)14-10-13(21)5-6-16(14)23-19/h5-10,23H,3-4,11H2,1-2H3
InChIKeySKZPHUUTOZJTSU-UHFFFAOYSA-N
XLogP4.12
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[5-chloro-2-[4-(hydroxymethyl)pyridine-2-carbonyl]-1H-indol-3-yl]acetate
CID 23003296
[5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate
CID 70285355
2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate
CID 18542262
methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate
CID 70404350
2-[6-chloro-2-[4-(hydroxymethyl)pyridine-2-carbonyl]-1H-indol-3-yl]acetate
CID 18542242
2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
CID 18542250
methyl 2-[6-chloro-2-[5-(trifluoromethyl)pyridine-2-carbonyl]-1H-indol-3-yl]acetate
CID 23003535
2-[5-chloro-2-(3,4-dimethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
CID 18542235
2-[5-chloro-2-(4,6-dimethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
CID 18542362
2-[5-chloro-2-(3-ethoxycarbonyl-1,2-oxazole-5-carbonyl)-1H-indol-3-yl]acetate
CID 18542199
methyl 2-[6-chloro-2-(4-chloro-3-fluorobenzoyl)-1H-indol-3-yl]acetate
CID 23003541
2-[5-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetate
CID 18542170

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate?
The IUPAC name of methyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate (CID 23003395) is methyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate?
The canonical SMILES for methyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate is CCCc1ccnc(C(=O)c2[nH]c3ccc(Cl)cc3c2CC(=O)OC)c1.
What is the InChIKey of methyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate?
The InChIKey is SKZPHUUTOZJTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-3-4-12-7-8-22-17(9-12)20(25)19-15(11-18(24)26-2)14-10-13(21)5-6-16(14)23-19/h5-10,23H,3-4,11H2,1-2H3.
What are the key properties of methyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate?
methyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate has a molecular weight of 370.84 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate is sourced from PubChem (CID 23003395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).