1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide

C22H29N3O3 — CID 54681514

IUPAC1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NC2CC3CCC(C2)N3C)c(O)c2ccccc21
InChIInChI=1S/C22H29N3O3/c1-3-4-11-25-18-8-6-5-7-17(18)20(26)19(22(25)28)21(27)23-14-12-15-9-10-16(13-14)24(15)2/h5-8,14-16,26H,3-4,9-13H2,1-2H3,(H,23,27)
InChIKeyWGDQFZMBDVNRCW-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.86
Rot. Bonds5

About 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide

1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide (PubChem CID 54681514) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide
PubChem CID54681514
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NC2CC3CCC(C2)N3C)c(O)c2ccccc21
InChIInChI=1S/C22H29N3O3/c1-3-4-11-25-18-8-6-5-7-17(18)20(26)19(22(25)28)21(27)23-14-12-15-9-10-16(13-14)24(15)2/h5-8,14-16,26H,3-4,9-13H2,1-2H3,(H,23,27)
InChIKeyWGDQFZMBDVNRCW-UHFFFAOYSA-N
XLogP2.86
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide with MolForge

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Related Compounds

Roquinimex
CID 54676478
Paquinimod
CID 54684617
N-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine
CID 54685215
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(1-methylethyl)-2-oxo-
CID 54679386
1-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid methylamide
CID 54676926
2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide
CID 54688356
1-Butyl-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54683118
N-(2-Chlorobenzyl)-1-ethyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54687004
1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid phenethyl-amide
CID 54682638
1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54684065

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide (CID 54681514) is 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide is CCCCn1c(=O)c(C(=O)NC2CC3CCC(C2)N3C)c(O)c2ccccc21.
What is the InChIKey of 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide?
The InChIKey is WGDQFZMBDVNRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-4-11-25-18-8-6-5-7-17(18)20(26)19(22(25)28)21(27)23-14-12-15-9-10-16(13-14)24(15)2/h5-8,14-16,26H,3-4,9-13H2,1-2H3,(H,23,27).
What are the key properties of 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide?
1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54681514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).