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

C19H20F2N2O3 — CID 91914301

IUPACN-[(2,4-difluorophenyl)methyl]-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)NCc1ccc(F)cc1F)CCCC2
InChIInChI=1S/C19H20F2N2O3/c1-2-26-16-10-17(24)23-8-4-3-5-15(23)18(16)19(25)22-11-12-6-7-13(20)9-14(12)21/h6-7,9-10H,2-5,8,11H2,1H3,(H,22,25)
InChIKeyCOPXXMSHEYOXRO-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.79
Rot. Bonds5

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

N-[(2,4-difluorophenyl)methyl]-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91914301) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91914301
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)NCc1ccc(F)cc1F)CCCC2
InChIInChI=1S/C19H20F2N2O3/c1-2-26-16-10-17(24)23-8-4-3-5-15(23)18(16)19(25)22-11-12-6-7-13(20)9-14(12)21/h6-7,9-10H,2-5,8,11H2,1H3,(H,22,25)
InChIKeyCOPXXMSHEYOXRO-UHFFFAOYSA-N
XLogP2.79
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91914301) is N-[(2,4-difluorophenyl)methyl]-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is CCOc1cc(=O)n2c(c1C(=O)NCc1ccc(F)cc1F)CCCC2.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is COPXXMSHEYOXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-2-26-16-10-17(24)23-8-4-3-5-15(23)18(16)19(25)22-11-12-6-7-13(20)9-14(12)21/h6-7,9-10H,2-5,8,11H2,1H3,(H,22,25).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-[(2,4-difluorophenyl)methyl]-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91914301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).