4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide

C24H27N3O4 — CID 166860255

IUPAC4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)Nc2cccc(N3CCOCC3)c2)c(O)c2ccccc21
InChIInChI=1S/C24H27N3O4/c1-16(2)15-27-20-9-4-3-8-19(20)22(28)21(24(27)30)23(29)25-17-6-5-7-18(14-17)26-10-12-31-13-11-26/h3-9,14,16,28H,10-13,15H2,1-2H3,(H,25,29)
InChIKeyUELPJNIIQIBOSE-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.45
Rot. Bonds5

About 4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide

4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide (PubChem CID 166860255) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide
PubChem CID166860255
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)Nc2cccc(N3CCOCC3)c2)c(O)c2ccccc21
InChIInChI=1S/C24H27N3O4/c1-16(2)15-27-20-9-4-3-8-19(20)22(28)21(24(27)30)23(29)25-17-6-5-7-18(14-17)26-10-12-31-13-11-26/h3-9,14,16,28H,10-13,15H2,1-2H3,(H,25,29)
InChIKeyUELPJNIIQIBOSE-UHFFFAOYSA-N
XLogP3.45
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 163988927
N-(3-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54679607
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
5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194396
3-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110612966
1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678823
4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide
CID 54730248
6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 163937820
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
CID 54676686
1-ethyl-4-hydroxy-N-(3-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54679068
4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 54678423

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide (CID 166860255) is 4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide is CC(C)Cn1c(=O)c(C(=O)Nc2cccc(N3CCOCC3)c2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is UELPJNIIQIBOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-16(2)15-27-20-9-4-3-8-19(20)22(28)21(24(27)30)23(29)25-17-6-5-7-18(14-17)26-10-12-31-13-11-26/h3-9,14,16,28H,10-13,15H2,1-2H3,(H,25,29).
What are the key properties of 4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide?
4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.45, 5 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-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 166860255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).