N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide

C15H18N2O4 — CID 103802992

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCOCC(CCO)NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C15H18N2O4/c1-21-9-10(6-7-18)17-15(20)12-8-16-13-5-3-2-4-11(13)14(12)19/h2-5,8,10,18H,6-7,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyIOEFGCDYPFXAFM-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.66
Rot. Bonds6

About N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide

N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 103802992) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID103802992
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCOCC(CCO)NC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C15H18N2O4/c1-21-9-10(6-7-18)17-15(20)12-8-16-13-5-3-2-4-11(13)14(12)19/h2-5,8,10,18H,6-7,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyIOEFGCDYPFXAFM-UHFFFAOYSA-N
XLogP0.66
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 115767429
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 61246049
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
CID 18712226
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39919365
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 106152007
1-(1H-indol-3-yl)-3-methoxypropan-1-one
CID 163900089
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 30463952
3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151929
N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 39848788
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 107866584
N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
CID 86983437

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide (CID 103802992) is N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide is COCC(CCO)NC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is IOEFGCDYPFXAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-21-9-10(6-7-18)17-15(20)12-8-16-13-5-3-2-4-11(13)14(12)19/h2-5,8,10,18H,6-7,9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 103802992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).