N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide

C16H20N2O2 — CID 103946162

IUPACN-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cccc2ncccc12
InChIInChI=1S/C16H20N2O2/c1-3-16(2,9-11-19)18-15(20)13-6-4-8-14-12(13)7-5-10-17-14/h4-8,10,19H,3,9,11H2,1-2H3,(H,18,20)
InChIKeyIZPKHDVOACGOMO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.52
Rot. Bonds5

About N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide (PubChem CID 103946162) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide
PubChem CID103946162
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cccc2ncccc12
InChIInChI=1S/C16H20N2O2/c1-3-16(2,9-11-19)18-15(20)13-6-4-8-14-12(13)7-5-10-17-14/h4-8,10,19H,3,9,11H2,1-2H3,(H,18,20)
InChIKeyIZPKHDVOACGOMO-UHFFFAOYSA-N
XLogP2.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide
CID 104580990
3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide
CID 99697185
N-(3-bromo-2,2-dimethylpropyl)quinoline-5-carboxamide
CID 115364916
2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893
1-chloro-N-(1-hydroxy-3-methylpentan-3-yl)isoquinoline-4-carboxamide
CID 106834452
N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide
CID 106164386
2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164041
N-[2-(chloromethyl)-2-ethylbutyl]quinoline-5-carboxamide
CID 106253827
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250
3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
CID 97340426
1-ethyl-3-(quinoline-5-carbonylamino)urea
CID 75417515
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide (CID 103946162) is N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide is CCC(C)(CCO)NC(=O)c1cccc2ncccc12.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide?
The InChIKey is IZPKHDVOACGOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-16(2,9-11-19)18-15(20)13-6-4-8-14-12(13)7-5-10-17-14/h4-8,10,19H,3,9,11H2,1-2H3,(H,18,20).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide is sourced from PubChem (CID 103946162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).