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

C17H16ClFN2O3 — CID 91904465

IUPACN-(3-chloro-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)Nc1cccc(Cl)c1F)CCCC2
InChIInChI=1S/C17H16ClFN2O3/c1-24-13-9-14(22)21-8-3-2-7-12(21)15(13)17(23)20-11-6-4-5-10(18)16(11)19/h4-6,9H,2-3,7-8H2,1H3,(H,20,23)
InChIKeyMFFSXYYJRVILOE-UHFFFAOYSA-N
MW350.78 g/mol
LogP3.24
Rot. Bonds3

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

N-(3-chloro-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904465) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904465
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC NameN-(3-chloro-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)Nc1cccc(Cl)c1F)CCCC2
InChIInChI=1S/C17H16ClFN2O3/c1-24-13-9-14(22)21-8-3-2-7-12(21)15(13)17(23)20-11-6-4-5-10(18)16(11)19/h4-6,9H,2-3,7-8H2,1H3,(H,20,23)
InChIKeyMFFSXYYJRVILOE-UHFFFAOYSA-N
XLogP3.24
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904465) is N-(3-chloro-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is COc1cc(=O)n2c(c1C(=O)Nc1cccc(Cl)c1F)CCCC2.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is MFFSXYYJRVILOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-24-13-9-14(22)21-8-3-2-7-12(21)15(13)17(23)20-11-6-4-5-10(18)16(11)19/h4-6,9H,2-3,7-8H2,1H3,(H,20,23).
What are the key properties of N-(3-chloro-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-(3-chloro-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 350.78 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).