N-benzyl-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide

C20H24N2O3 — CID 54678960

IUPACN-benzyl-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCn1c2c(c(O)c(C(=O)NCc3ccccc3)c1=O)CCCC2
InChIInChI=1S/C20H24N2O3/c1-2-12-22-16-11-7-6-10-15(16)18(23)17(20(22)25)19(24)21-13-14-8-4-3-5-9-14/h3-5,8-9,23H,2,6-7,10-13H2,1H3,(H,21,24)
InChIKeyUSTLEMGNJGBQLK-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.77
Rot. Bonds5

About N-benzyl-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide

N-benzyl-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 54678960) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-benzyl-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID54678960
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-benzyl-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCCn1c2c(c(O)c(C(=O)NCc3ccccc3)c1=O)CCCC2
InChIInChI=1S/C20H24N2O3/c1-2-12-22-16-11-7-6-10-15(16)18(23)17(20(22)25)19(24)21-13-14-8-4-3-5-9-14/h3-5,8-9,23H,2,6-7,10-13H2,1H3,(H,21,24)
InChIKeyUSTLEMGNJGBQLK-UHFFFAOYSA-N
XLogP2.77
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-benzyl-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 54678960) is N-benzyl-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide is CCCn1c2c(c(O)c(C(=O)NCc3ccccc3)c1=O)CCCC2.
What is the InChIKey of N-benzyl-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is USTLEMGNJGBQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-12-22-16-11-7-6-10-15(16)18(23)17(20(22)25)19(24)21-13-14-8-4-3-5-9-14/h3-5,8-9,23H,2,6-7,10-13H2,1H3,(H,21,24).
What are the key properties of N-benzyl-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide?
N-benzyl-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 54678960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).