N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide

C13H13N3O3 — CID 107261247

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C13H13N3O3/c14-12(18)11(17)7-16-13(19)9-3-4-10-8(6-9)2-1-5-15-10/h1-6,11,17H,7H2,(H2,14,18)(H,16,19)
InChIKeyUJVFISDGDABKCX-UHFFFAOYSA-N
MW259.26 g/mol
LogP-0.19
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide (PubChem CID 107261247) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
PubChem CID107261247
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C13H13N3O3/c14-12(18)11(17)7-16-13(19)9-3-4-10-8(6-9)2-1-5-15-10/h1-6,11,17H,7H2,(H2,14,18)(H,16,19)
InChIKeyUJVFISDGDABKCX-UHFFFAOYSA-N
XLogP-0.19
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
CID 62851157
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
CID 103726459
N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide
CID 107261317
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-(2-amino-2-sulfanylideneethyl)quinoline-6-carboxamide
CID 62850973
N-(2-chlorobutyl)quinoline-6-carboxamide
CID 113492848
N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide
CID 113273458
N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide
CID 103686077
(2S)-2-(quinoline-6-carbonylamino)butanediamide
CID 70062244
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide (CID 107261247) is N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide is NC(=O)C(O)CNC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide?
The InChIKey is UJVFISDGDABKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-12(18)11(17)7-16-13(19)9-3-4-10-8(6-9)2-1-5-15-10/h1-6,11,17H,7H2,(H2,14,18)(H,16,19).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide has a molecular weight of 259.26 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide is sourced from PubChem (CID 107261247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).