methyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate

C17H22FNO2 — CID 142924548

IUPACmethyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate
SMILESCCCC(CCC)c1c(F)[nH]c2cc(C(=O)OC)ccc12
InChIInChI=1S/C17H22FNO2/c1-4-6-11(7-5-2)15-13-9-8-12(17(20)21-3)10-14(13)19-16(15)18/h8-11,19H,4-7H2,1-3H3
InChIKeyZQIMNJYJKSVKRD-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.78
Rot. Bonds6

About methyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate

methyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate (PubChem CID 142924548) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is methyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate
PubChem CID142924548
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Namemethyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate
SMILESCCCC(CCC)c1c(F)[nH]c2cc(C(=O)OC)ccc12
InChIInChI=1S/C17H22FNO2/c1-4-6-11(7-5-2)15-13-9-8-12(17(20)21-3)10-14(13)19-16(15)18/h8-11,19H,4-7H2,1-3H3
InChIKeyZQIMNJYJKSVKRD-UHFFFAOYSA-N
XLogP4.78
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate
CID 126753254
methyl 3-octan-4-ylbenzoate
CID 155299316
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
methyl 3-ethyl-1H-indole-6-carboxylate
CID 22627226
6-O-ethyl 3-O-methyl 2-(trifluoromethyl)-1H-indole-3,6-dicarboxylate
CID 141445399
methyl 2-(chloromethyl)-3-formyl-1H-indole-6-carboxylate
CID 175639857
methyl 9H-carbazole-2-carboxylate;1-methylpyrrolidine
CID 143732942
methyl 4-(2-propylpentanoyl)benzoate
CID 146011083
methyl 3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 51937874
methyl 8-fluoronaphthalene-2-carboxylate
CID 133084151
methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate
CID 50942143
methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate
CID 171572815

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate?
The IUPAC name of methyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate (CID 142924548) is methyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate?
The canonical SMILES for methyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate is CCCC(CCC)c1c(F)[nH]c2cc(C(=O)OC)ccc12.
What is the InChIKey of methyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate?
The InChIKey is ZQIMNJYJKSVKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-4-6-11(7-5-2)15-13-9-8-12(17(20)21-3)10-14(13)19-16(15)18/h8-11,19H,4-7H2,1-3H3.
What are the key properties of methyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate?
methyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate has a molecular weight of 291.37 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-heptan-4-yl-1H-indole-6-carboxylate is sourced from PubChem (CID 142924548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).