N-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide

C23H24FN3O3 — CID 1459283

IUPACN-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide
SMILESCc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)N3CCOCC3)c(=O)[nH]c12
InChIInChI=1S/C23H24FN3O3/c1-16-3-2-4-18-13-19(22(28)25-21(16)18)15-27(14-17-5-7-20(24)8-6-17)23(29)26-9-11-30-12-10-26/h2-8,13H,9-12,14-15H2,1H3,(H,25,28)
InChIKeyHXWGMTOGGNPJHB-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.43
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide

N-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide (PubChem CID 1459283) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide
PubChem CID1459283
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide
SMILESCc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)N3CCOCC3)c(=O)[nH]c12
InChIInChI=1S/C23H24FN3O3/c1-16-3-2-4-18-13-19(22(28)25-21(16)18)15-27(14-17-5-7-20(24)8-6-17)23(29)26-9-11-30-12-10-26/h2-8,13H,9-12,14-15H2,1H3,(H,25,28)
InChIKeyHXWGMTOGGNPJHB-UHFFFAOYSA-N
XLogP3.43
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide (CID 1459283) is N-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide is Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)N3CCOCC3)c(=O)[nH]c12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide?
The InChIKey is HXWGMTOGGNPJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-16-3-2-4-18-13-19(22(28)25-21(16)18)15-27(14-17-5-7-20(24)8-6-17)23(29)26-9-11-30-12-10-26/h2-8,13H,9-12,14-15H2,1H3,(H,25,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 1459283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).