N-(2,4-dimethylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

C20H24N2O3 — CID 91904507

IUPACN-(2,4-dimethylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1ccc(C)cc1C)CCCC2
InChIInChI=1S/C20H24N2O3/c1-4-25-17-12-18(23)22-10-6-5-7-16(22)19(17)20(24)21-15-9-8-13(2)11-14(15)3/h8-9,11-12H,4-7,10H2,1-3H3,(H,21,24)
InChIKeyGGXHNRBBJUCNCS-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.45
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

N-(2,4-dimethylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904507) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904507
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(2,4-dimethylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1ccc(C)cc1C)CCCC2
InChIInChI=1S/C20H24N2O3/c1-4-25-17-12-18(23)22-10-6-5-7-16(22)19(17)20(24)21-15-9-8-13(2)11-14(15)3/h8-9,11-12H,4-7,10H2,1-3H3,(H,21,24)
InChIKeyGGXHNRBBJUCNCS-UHFFFAOYSA-N
XLogP3.45
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904507) is N-(2,4-dimethylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is CCOc1cc(=O)n2c(c1C(=O)Nc1ccc(C)cc1C)CCCC2.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is GGXHNRBBJUCNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-25-17-12-18(23)22-10-6-5-7-16(22)19(17)20(24)21-15-9-8-13(2)11-14(15)3/h8-9,11-12H,4-7,10H2,1-3H3,(H,21,24).
What are the key properties of N-(2,4-dimethylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-(2,4-dimethylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).