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

C17H17FN2O3 — CID 91914271

IUPACN-(3-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)Nc1cccc(F)c1)CCCC2
InChIInChI=1S/C17H17FN2O3/c1-23-14-10-15(21)20-8-3-2-7-13(20)16(14)17(22)19-12-6-4-5-11(18)9-12/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,22)
InChIKeyOEEOTDRDKOBJBU-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.58
Rot. Bonds3

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

N-(3-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91914271) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91914271
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-(3-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)Nc1cccc(F)c1)CCCC2
InChIInChI=1S/C17H17FN2O3/c1-23-14-10-15(21)20-8-3-2-7-13(20)16(14)17(22)19-12-6-4-5-11(18)9-12/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,22)
InChIKeyOEEOTDRDKOBJBU-UHFFFAOYSA-N
XLogP2.58
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91914271) is N-(3-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is COc1cc(=O)n2c(c1C(=O)Nc1cccc(F)c1)CCCC2.
What is the InChIKey of N-(3-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is OEEOTDRDKOBJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-23-14-10-15(21)20-8-3-2-7-13(20)16(14)17(22)19-12-6-4-5-11(18)9-12/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,22).
What are the key properties of N-(3-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-(3-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91914271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).