4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide

C29H25FN4O2 — CID 18847440

IUPAC4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide
SMILESO=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)Cc1ccccc1
InChIInChI=1S/C29H25FN4O2/c30-21-14-16-25-23(18-21)22(29(32-25)26-15-13-20-9-4-5-11-24(20)31-26)10-6-12-27(35)33-34-28(36)17-19-7-2-1-3-8-19/h1-5,7-9,11,13-16,18,32H,6,10,12,17H2,(H,33,35)(H,34,36)
InChIKeyIYKLFVJPABIBLE-UHFFFAOYSA-N
MW480.54 g/mol
LogP5.24
Rot. Bonds7

About 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide

4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide (PubChem CID 18847440) has the molecular formula C29H25FN4O2 and a molecular weight of 480.54 g/mol. Its IUPAC name is 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide.

Molecular Properties

Compound Name4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide
PubChem CID18847440
Molecular FormulaC29H25FN4O2
Molecular Weight480.54 g/mol
Exact Mass480.20
IUPAC Name4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide
SMILESO=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)Cc1ccccc1
InChIInChI=1S/C29H25FN4O2/c30-21-14-16-25-23(18-21)22(29(32-25)26-15-13-20-9-4-5-11-24(20)31-26)10-6-12-27(35)33-34-28(36)17-19-7-2-1-3-8-19/h1-5,7-9,11,13-16,18,32H,6,10,12,17H2,(H,33,35)(H,34,36)
InChIKeyIYKLFVJPABIBLE-UHFFFAOYSA-N
XLogP5.24
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.54
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide?
The IUPAC name of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide (CID 18847440) is 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide.
What is the SMILES notation for 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide?
The canonical SMILES for 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide is O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)Cc1ccccc1.
What is the InChIKey of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide?
The InChIKey is IYKLFVJPABIBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O2/c30-21-14-16-25-23(18-21)22(29(32-25)26-15-13-20-9-4-5-11-24(20)31-26)10-6-12-27(35)33-34-28(36)17-19-7-2-1-3-8-19/h1-5,7-9,11,13-16,18,32H,6,10,12,17H2,(H,33,35)(H,34,36).
What are the key properties of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide?
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide has a molecular weight of 480.54 g/mol, XLogP of 5.24, 7 rotatable bonds, 3 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'-(2-phenylacetyl)butanehydrazide is sourced from PubChem (CID 18847440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).