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

C19H21ClN2O3 — CID 91914319

IUPACN-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1ccc(Cl)c(C)c1)CCCC2
InChIInChI=1S/C19H21ClN2O3/c1-3-25-16-11-17(23)22-9-5-4-6-15(22)18(16)19(24)21-13-7-8-14(20)12(2)10-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,21,24)
InChIKeyQEXJIEBCIAENNQ-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.80
Rot. Bonds4

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

N-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91914319) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91914319
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1ccc(Cl)c(C)c1)CCCC2
InChIInChI=1S/C19H21ClN2O3/c1-3-25-16-11-17(23)22-9-5-4-6-15(22)18(16)19(24)21-13-7-8-14(20)12(2)10-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,21,24)
InChIKeyQEXJIEBCIAENNQ-UHFFFAOYSA-N
XLogP3.80
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91914319) is N-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is CCOc1cc(=O)n2c(c1C(=O)Nc1ccc(Cl)c(C)c1)CCCC2.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is QEXJIEBCIAENNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-3-25-16-11-17(23)22-9-5-4-6-15(22)18(16)19(24)21-13-7-8-14(20)12(2)10-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,21,24).
What are the key properties of N-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 360.84 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91914319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).