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

C18H19ClN2O3 — CID 91904402

IUPACN-[(2-chlorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)NCc1ccccc1Cl)CCCC2
InChIInChI=1S/C18H19ClN2O3/c1-24-15-10-16(22)21-9-5-4-8-14(21)17(15)18(23)20-11-12-6-2-3-7-13(12)19/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,20,23)
InChIKeyUIWGANHMEZQZAK-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.78
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904402) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904402
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)NCc1ccccc1Cl)CCCC2
InChIInChI=1S/C18H19ClN2O3/c1-24-15-10-16(22)21-9-5-4-8-14(21)17(15)18(23)20-11-12-6-2-3-7-13(12)19/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,20,23)
InChIKeyUIWGANHMEZQZAK-UHFFFAOYSA-N
XLogP2.78
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904402) is N-[(2-chlorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is COc1cc(=O)n2c(c1C(=O)NCc1ccccc1Cl)CCCC2.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is UIWGANHMEZQZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-24-15-10-16(22)21-9-5-4-8-14(21)17(15)18(23)20-11-12-6-2-3-7-13(12)19/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,20,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-[(2-chlorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 346.81 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).