4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide

C25H30N4O3 — CID 163988927

IUPAC4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)Nc2cccc(N3CCN(C)CC3)c2)c(O)c2ccccc21
InChIInChI=1S/C25H30N4O3/c1-17(2)16-29-21-10-5-4-9-20(21)23(30)22(25(29)32)24(31)26-18-7-6-8-19(15-18)28-13-11-27(3)12-14-28/h4-10,15,17,30H,11-14,16H2,1-3H3,(H,26,31)
InChIKeyTYVJPALLFLUSHO-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.37
Rot. Bonds5

About 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide

4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide (PubChem CID 163988927) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
PubChem CID163988927
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)Nc2cccc(N3CCN(C)CC3)c2)c(O)c2ccccc21
InChIInChI=1S/C25H30N4O3/c1-17(2)16-29-21-10-5-4-9-20(21)23(30)22(25(29)32)24(31)26-18-7-6-8-19(15-18)28-13-11-27(3)12-14-28/h4-10,15,17,30H,11-14,16H2,1-3H3,(H,26,31)
InChIKeyTYVJPALLFLUSHO-UHFFFAOYSA-N
XLogP3.37
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.37
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
N-(3-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54679607
N-[3-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 166860092
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyridin-4-ylquinoline-3-carboxamide
CID 54676097
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide
CID 54676093
4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 54678423
6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 163937820
1-ethyl-4-hydroxy-N-(3-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54679068
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
CID 54676686
N-(2,6-dimethyl-4-pyridinyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54698889
N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54676151
N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54682095

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide (CID 163988927) is 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide is CC(C)Cn1c(=O)c(C(=O)Nc2cccc(N3CCN(C)CC3)c2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is TYVJPALLFLUSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17(2)16-29-21-10-5-4-9-20(21)23(30)22(25(29)32)24(31)26-18-7-6-8-19(15-18)28-13-11-27(3)12-14-28/h4-10,15,17,30H,11-14,16H2,1-3H3,(H,26,31).
What are the key properties of 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide?
4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 163988927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).