N-(3-fluoro-2-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

C18H19FN2O3 — CID 91904469

IUPACN-(3-fluoro-2-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)Nc1cccc(F)c1C)CCCC2
InChIInChI=1S/C18H19FN2O3/c1-11-12(19)6-5-7-13(11)20-18(23)17-14-8-3-4-9-21(14)16(22)10-15(17)24-2/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,23)
InChIKeyJHYMDTNMLWODLZ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.89
Rot. Bonds3

About N-(3-fluoro-2-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

N-(3-fluoro-2-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904469) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904469
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-(3-fluoro-2-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)Nc1cccc(F)c1C)CCCC2
InChIInChI=1S/C18H19FN2O3/c1-11-12(19)6-5-7-13(11)20-18(23)17-14-8-3-4-9-21(14)16(22)10-15(17)24-2/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,23)
InChIKeyJHYMDTNMLWODLZ-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

Analyze N-(3-fluoro-2-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904469) is N-(3-fluoro-2-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is COc1cc(=O)n2c(c1C(=O)Nc1cccc(F)c1C)CCCC2.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is JHYMDTNMLWODLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-11-12(19)6-5-7-13(11)20-18(23)17-14-8-3-4-9-21(14)16(22)10-15(17)24-2/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,23).
What are the key properties of N-(3-fluoro-2-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-(3-fluoro-2-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-(3-fluoro-2-methylphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).