4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide

C31H37N3O3 — CID 54730188

IUPAC4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide
SMILESCC(C)n1c(=O)c(C(=O)NCCCN2C3CC4CC2CC(c2ccccc2)(C4)C3)c(O)c2ccccc21
InChIInChI=1S/C31H37N3O3/c1-20(2)34-26-12-7-6-11-25(26)28(35)27(30(34)37)29(36)32-13-8-14-33-23-15-21-16-24(33)19-31(17-21,18-23)22-9-4-3-5-10-22/h3-7,9-12,20-21,23-24,35H,8,13-19H2,1-2H3,(H,32,36)
InChIKeyXVWWSGUSPNQWMS-UHFFFAOYSA-N
MW499.66 g/mol
LogP4.99
Rot. Bonds7

About 4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide

4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide (PubChem CID 54730188) has the molecular formula C31H37N3O3 and a molecular weight of 499.66 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide
PubChem CID54730188
Molecular FormulaC31H37N3O3
Molecular Weight499.66 g/mol
Exact Mass499.28
IUPAC Name4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide
SMILESCC(C)n1c(=O)c(C(=O)NCCCN2C3CC4CC2CC(c2ccccc2)(C4)C3)c(O)c2ccccc21
InChIInChI=1S/C31H37N3O3/c1-20(2)34-26-12-7-6-11-25(26)28(35)27(30(34)37)29(36)32-13-8-14-33-23-15-21-16-24(33)19-31(17-21,18-23)22-9-4-3-5-10-22/h3-7,9-12,20-21,23-24,35H,8,13-19H2,1-2H3,(H,32,36)
InChIKeyXVWWSGUSPNQWMS-UHFFFAOYSA-N
XLogP4.99
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 70813569
4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 91144006
1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide
CID 54683762
4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide
CID 56606321
1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 54682638
4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride
CID 54749196
1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685643
VRX 03011 Potassium salt
CID 66863218
but-2-enedioic acid;4-hydroxy-6-oxo-N-(3-piperidin-1-ylpropyl)-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide
CID 67316487
(Z)-but-2-enedioic acid;4-hydroxy-6-oxo-N-(3-piperidin-1-ylpropyl)-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;methane
CID 160756968
N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
CID 56684063
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide (CID 54730188) is 4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide is CC(C)n1c(=O)c(C(=O)NCCCN2C3CC4CC2CC(c2ccccc2)(C4)C3)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide?
The InChIKey is XVWWSGUSPNQWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O3/c1-20(2)34-26-12-7-6-11-25(26)28(35)27(30(34)37)29(36)32-13-8-14-33-23-15-21-16-24(33)19-31(17-21,18-23)22-9-4-3-5-10-22/h3-7,9-12,20-21,23-24,35H,8,13-19H2,1-2H3,(H,32,36).
What are the key properties of 4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide?
4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide has a molecular weight of 499.66 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-[3-(5-phenyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-1-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 54730188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).