4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide

C28H24FN3O2 — CID 18847417

IUPAC4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C28H24FN3O2/c1-34-21-13-11-20(12-14-21)30-27(33)8-4-6-22-23-17-19(29)10-16-25(23)32-28(22)26-15-9-18-5-2-3-7-24(18)31-26/h2-3,5,7,9-17,32H,4,6,8H2,1H3,(H,30,33)
InChIKeyGZXIBQDBRFCVRI-UHFFFAOYSA-N
MW453.52 g/mol
LogP6.49
Rot. Bonds7

About 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide

4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide (PubChem CID 18847417) has the molecular formula C28H24FN3O2 and a molecular weight of 453.52 g/mol. Its IUPAC name is 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide
PubChem CID18847417
Molecular FormulaC28H24FN3O2
Molecular Weight453.52 g/mol
Exact Mass453.19
IUPAC Name4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C28H24FN3O2/c1-34-21-13-11-20(12-14-21)30-27(33)8-4-6-22-23-17-19(29)10-16-25(23)32-28(22)26-15-9-18-5-2-3-7-24(18)31-26/h2-3,5,7,9-17,32H,4,6,8H2,1H3,(H,30,33)
InChIKeyGZXIBQDBRFCVRI-UHFFFAOYSA-N
XLogP6.49
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18847392
N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846841
N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847080
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide
CID 18847249
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 18847354
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 18847440
N-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847395
4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
CID 18847099
N-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847315
N-(4-butylphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846827
N-(4-methoxy-2-nitrophenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847083
N-(3-acetylphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847024

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide?
The IUPAC name of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide (CID 18847417) is 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide.
What is the SMILES notation for 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide?
The canonical SMILES for 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide is COc1ccc(NC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide?
The InChIKey is GZXIBQDBRFCVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O2/c1-34-21-13-11-20(12-14-21)30-27(33)8-4-6-22-23-17-19(29)10-16-25(23)32-28(22)26-15-9-18-5-2-3-7-24(18)31-26/h2-3,5,7,9-17,32H,4,6,8H2,1H3,(H,30,33).
What are the key properties of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide?
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide has a molecular weight of 453.52 g/mol, XLogP of 6.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 18847417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).