1-cyclohexyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide

C28H37N3O4 — CID 70925927

IUPAC1-cyclohexyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide
SMILESCCC(NC(=O)c1c(O)c2ccccc2n(C2CCCCC2)c1=O)N1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C28H37N3O4/c1-2-23(30-19-12-17-13-20(30)16-28(35,14-17)15-19)29-26(33)24-25(32)21-10-6-7-11-22(21)31(27(24)34)18-8-4-3-5-9-18/h6-7,10-11,17-20,23,32,35H,2-5,8-9,12-16H2,1H3,(H,29,33)
InChIKeyALVOSWXOTYNPAG-UHFFFAOYSA-N
MW479.62 g/mol
LogP4.06
Rot. Bonds5

About 1-cyclohexyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide

1-cyclohexyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide (PubChem CID 70925927) has the molecular formula C28H37N3O4 and a molecular weight of 479.62 g/mol. Its IUPAC name is 1-cyclohexyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide
PubChem CID70925927
Molecular FormulaC28H37N3O4
Molecular Weight479.62 g/mol
Exact Mass479.28
IUPAC Name1-cyclohexyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide
SMILESCCC(NC(=O)c1c(O)c2ccccc2n(C2CCCCC2)c1=O)N1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C28H37N3O4/c1-2-23(30-19-12-17-13-20(30)16-28(35,14-17)15-19)29-26(33)24-25(32)21-10-6-7-11-22(21)31(27(24)34)18-8-4-3-5-9-18/h6-7,10-11,17-20,23,32,35H,2-5,8-9,12-16H2,1H3,(H,29,33)
InChIKeyALVOSWXOTYNPAG-UHFFFAOYSA-N
XLogP4.06
TPSA94.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide
CID 70926731
N-[1-(2-azabicyclo[3.3.1]nonan-2-yl)propyl]-4-hydroxy-2-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 70813569
1-cyclopentyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 67034428
9-cyclononylcarbazole
CID 139570160
1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one
CID 54710445
1-cyclohexyl-4-hydroxyquinolin-2-one
CID 54723672
9-cyclohexyl-N-propylcarbazole-3-carboxamide
CID 69163886
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
9-cyclobutylcarbazole
CID 66713557
3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid
CID 71740510
N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54685665
(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
CID 54681675

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-cyclohexyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide (CID 70925927) is 1-cyclohexyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide is CCC(NC(=O)c1c(O)c2ccccc2n(C2CCCCC2)c1=O)N1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 1-cyclohexyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide?
The InChIKey is ALVOSWXOTYNPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O4/c1-2-23(30-19-12-17-13-20(30)16-28(35,14-17)15-19)29-26(33)24-25(32)21-10-6-7-11-22(21)31(27(24)34)18-8-4-3-5-9-18/h6-7,10-11,17-20,23,32,35H,2-5,8-9,12-16H2,1H3,(H,29,33).
What are the key properties of 1-cyclohexyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide?
1-cyclohexyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide has a molecular weight of 479.62 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 70925927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).