4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide

C25H35N3O4 — CID 54730248

IUPAC4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)NC2CCN(CC3CCOCC3)CC2)c(O)c2ccccc21
InChIInChI=1S/C25H35N3O4/c1-17(2)15-28-21-6-4-3-5-20(21)23(29)22(25(28)31)24(30)26-19-7-11-27(12-8-19)16-18-9-13-32-14-10-18/h3-6,17-19,29H,7-16H2,1-2H3,(H,26,30)
InChIKeyDGNNRVAWFMUPKO-UHFFFAOYSA-N
MW441.57 g/mol
LogP2.98
Rot. Bonds6

About 4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide

4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide (PubChem CID 54730248) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide
PubChem CID54730248
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC Name4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)NC2CCN(CC3CCOCC3)CC2)c(O)c2ccccc21
InChIInChI=1S/C25H35N3O4/c1-17(2)15-28-21-6-4-3-5-20(21)23(29)22(25(28)31)24(30)26-19-7-11-27(12-8-19)16-18-9-13-32-14-10-18/h3-6,17-19,29H,7-16H2,1-2H3,(H,26,30)
InChIKeyDGNNRVAWFMUPKO-UHFFFAOYSA-N
XLogP2.98
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide
CID 166860255
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyridin-4-ylquinoline-3-carboxamide
CID 54676097
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
CID 54676686
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 54695771
N-(3-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54679607
4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 163988927
N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171346845
N-[3-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 166860092
bis((E)-but-2-enedioic acid);1-butyl-4-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinoline-3-carboxamide
CID 54681513
N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54676151
N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156890662
4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 167335719

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide (CID 54730248) is 4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide is CC(C)Cn1c(=O)c(C(=O)NC2CCN(CC3CCOCC3)CC2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide?
The InChIKey is DGNNRVAWFMUPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-17(2)15-28-21-6-4-3-5-20(21)23(29)22(25(28)31)24(30)26-19-7-11-27(12-8-19)16-18-9-13-32-14-10-18/h3-6,17-19,29H,7-16H2,1-2H3,(H,26,30).
What are the key properties of 4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide?
4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide has a molecular weight of 441.57 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54730248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).