N-(2-fluoro-4-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

C18H19FN2O3 — CID 91904468

IUPACN-(2-fluoro-4-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)Nc1ccc(C)cc1F)CCCC2
InChIInChI=1S/C18H19FN2O3/c1-11-6-7-13(12(19)9-11)20-18(23)17-14-5-3-4-8-21(14)16(22)10-15(17)24-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,23)
InChIKeyGHBFEWUUXKGVOQ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.89
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

N-(2-fluoro-4-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904468) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904468
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)Nc1ccc(C)cc1F)CCCC2
InChIInChI=1S/C18H19FN2O3/c1-11-6-7-13(12(19)9-11)20-18(23)17-14-5-3-4-8-21(14)16(22)10-15(17)24-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,23)
InChIKeyGHBFEWUUXKGVOQ-UHFFFAOYSA-N
XLogP2.89
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904468) is N-(2-fluoro-4-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is COc1cc(=O)n2c(c1C(=O)Nc1ccc(C)cc1F)CCCC2.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is GHBFEWUUXKGVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-11-6-7-13(12(19)9-11)20-18(23)17-14-5-3-4-8-21(14)16(22)10-15(17)24-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,23).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-(2-fluoro-4-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).