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

C27H35N3O4 — CID 70926731

IUPAC1-cyclopentyl-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(C2CCCC2)c1=O)N1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C27H35N3O4/c1-2-22(29-18-11-16-12-19(29)15-27(34,13-16)14-18)28-25(32)23-24(31)20-9-5-6-10-21(20)30(26(23)33)17-7-3-4-8-17/h5-6,9-10,16-19,22,31,34H,2-4,7-8,11-15H2,1H3,(H,28,32)
InChIKeyCOWYNNCIKNRHHF-UHFFFAOYSA-N
MW465.59 g/mol
LogP3.67
Rot. Bonds5

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

1-cyclopentyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide (PubChem CID 70926731) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is 1-cyclopentyl-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-cyclopentyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide
PubChem CID70926731
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Name1-cyclopentyl-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(C2CCCC2)c1=O)N1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C27H35N3O4/c1-2-22(29-18-11-16-12-19(29)15-27(34,13-16)14-18)28-25(32)23-24(31)20-9-5-6-10-21(20)30(26(23)33)17-7-3-4-8-17/h5-6,9-10,16-19,22,31,34H,2-4,7-8,11-15H2,1H3,(H,28,32)
InChIKeyCOWYNNCIKNRHHF-UHFFFAOYSA-N
XLogP3.67
TPSA94.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
1-cyclopentyl-4-hydroxy-3-nitroquinolin-2-one
CID 54710445
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
9-cyclononylcarbazole
CID 139570160
N'-acetyl-4-hydroxy-2-oxo-1-propylquinoline-3-carbohydrazide
CID 54685665
9-cyclohexyl-N-propylcarbazole-3-carboxamide
CID 69163886
1-cyclohexyl-4-hydroxyquinolin-2-one
CID 54723672
(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-cyclopentyl-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-cyclopentyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide (CID 70926731) is 1-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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(C2CCCC2)c1=O)N1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 1-cyclopentyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide?
The InChIKey is COWYNNCIKNRHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-2-22(29-18-11-16-12-19(29)15-27(34,13-16)14-18)28-25(32)23-24(31)20-9-5-6-10-21(20)30(26(23)33)17-7-3-4-8-17/h5-6,9-10,16-19,22,31,34H,2-4,7-8,11-15H2,1H3,(H,28,32).
What are the key properties of 1-cyclopentyl-4-hydroxy-N-[1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propyl]-2-oxoquinoline-3-carboxamide?
1-cyclopentyl-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 465.59 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-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 70926731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).