N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide

C15H18N2O4 — CID 107866584

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C15H18N2O4/c1-2-15(8-18,9-19)17-14(21)11-7-16-12-6-4-3-5-10(12)13(11)20/h3-7,18-19H,2,8-9H2,1H3,(H,16,20)(H,17,21)
InChIKeyDEHTZJBWPHYDCG-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.39
Rot. Bonds5

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 107866584) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID107866584
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C15H18N2O4/c1-2-15(8-18,9-19)17-14(21)11-7-16-12-6-4-3-5-10(12)13(11)20/h3-7,18-19H,2,8-9H2,1H3,(H,16,20)(H,17,21)
InChIKeyDEHTZJBWPHYDCG-UHFFFAOYSA-N
XLogP0.39
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 115767429
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 61246049
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide
CID 62519123
N-cyano-4-oxo-1H-quinoline-3-carboxamide
CID 79195085
N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide
CID 121014787
butyl 4-oxo-1H-quinoline-3-carboxylate
CID 11630136
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571
N-[2-tert-butyl-5-hydroxy-4-(2-methylbutan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 59544162
N-(4-tert-butyl-2-ethyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87461578
N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 39848788

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide (CID 107866584) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide is CCC(CO)(CO)NC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is DEHTZJBWPHYDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-15(8-18,9-19)17-14(21)11-7-16-12-6-4-3-5-10(12)13(11)20/h3-7,18-19H,2,8-9H2,1H3,(H,16,20)(H,17,21).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.39, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 107866584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).