N-[(4-fluorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

C18H19FN2O3 — CID 91914255

IUPACN-[(4-fluorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)NCc1ccc(F)cc1)CCCC2
InChIInChI=1S/C18H19FN2O3/c1-24-15-10-16(22)21-9-3-2-4-14(21)17(15)18(23)20-11-12-5-7-13(19)8-6-12/h5-8,10H,2-4,9,11H2,1H3,(H,20,23)
InChIKeyJQCMULYSAOETMV-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.26
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

N-[(4-fluorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91914255) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91914255
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)NCc1ccc(F)cc1)CCCC2
InChIInChI=1S/C18H19FN2O3/c1-24-15-10-16(22)21-9-3-2-4-14(21)17(15)18(23)20-11-12-5-7-13(19)8-6-12/h5-8,10H,2-4,9,11H2,1H3,(H,20,23)
InChIKeyJQCMULYSAOETMV-UHFFFAOYSA-N
XLogP2.26
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91914255) is N-[(4-fluorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is COc1cc(=O)n2c(c1C(=O)NCc1ccc(F)cc1)CCCC2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is JQCMULYSAOETMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-24-15-10-16(22)21-9-3-2-4-14(21)17(15)18(23)20-11-12-5-7-13(19)8-6-12/h5-8,10H,2-4,9,11H2,1H3,(H,20,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91914255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).