5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide

C26H30FN3O — CID 18436119

IUPAC5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide
SMILESCc1c(NC(=O)CCCCc2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12
InChIInChI=1S/C26H30FN3O/c1-19-24(29-25(31)7-3-2-6-20-8-11-23(27)12-9-20)13-10-22-16-21(17-28-26(19)22)18-30-14-4-5-15-30/h8-13,16-17H,2-7,14-15,18H2,1H3,(H,29,31)
InChIKeyUSBRYOLVHLYFPX-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.63
Rot. Bonds8

About 5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide

5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide (PubChem CID 18436119) has the molecular formula C26H30FN3O and a molecular weight of 419.54 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide
PubChem CID18436119
Molecular FormulaC26H30FN3O
Molecular Weight419.54 g/mol
Exact Mass419.24
IUPAC Name5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide
SMILESCc1c(NC(=O)CCCCc2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12
InChIInChI=1S/C26H30FN3O/c1-19-24(29-25(31)7-3-2-6-20-8-11-23(27)12-9-20)13-10-22-16-21(17-28-26(19)22)18-30-14-4-5-15-30/h8-13,16-17H,2-7,14-15,18H2,1H3,(H,29,31)
InChIKeyUSBRYOLVHLYFPX-UHFFFAOYSA-N
XLogP5.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.54
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide (CID 18436119) is 5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide is Cc1c(NC(=O)CCCCc2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12.
What is the InChIKey of 5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide?
The InChIKey is USBRYOLVHLYFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O/c1-19-24(29-25(31)7-3-2-6-20-8-11-23(27)12-9-20)13-10-22-16-21(17-28-26(19)22)18-30-14-4-5-15-30/h8-13,16-17H,2-7,14-15,18H2,1H3,(H,29,31).
What are the key properties of 5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide?
5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide has a molecular weight of 419.54 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide is sourced from PubChem (CID 18436119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).