N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide

C13H13N3O3 — CID 106165340

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1cccc2cccnc12
InChIInChI=1S/C13H13N3O3/c14-12(18)10(17)7-16-13(19)9-5-1-3-8-4-2-6-15-11(8)9/h1-6,10,17H,7H2,(H2,14,18)(H,16,19)
InChIKeyYYTPPUMCKBBUHC-UHFFFAOYSA-N
MW259.27 g/mol
LogP-0.19
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide (PubChem CID 106165340) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide
PubChem CID106165340
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1cccc2cccnc12
InChIInChI=1S/C13H13N3O3/c14-12(18)10(17)7-16-13(19)9-5-1-3-8-4-2-6-15-11(8)9/h1-6,10,17H,7H2,(H2,14,18)(H,16,19)
InChIKeyYYTPPUMCKBBUHC-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 ≤ 500259.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid
CID 103152748
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832
N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride
CID 119641919
N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide
CID 115456767
N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide
CID 103843875
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
N-[2-[(4-hydroxybenzoyl)amino]ethyl]quinoline-8-carboxamide
CID 60517244
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide
CID 94028950
N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide
CID 55126983

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide (CID 106165340) is N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide is NC(=O)C(O)CNC(=O)c1cccc2cccnc12.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide?
The InChIKey is YYTPPUMCKBBUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-12(18)10(17)7-16-13(19)9-5-1-3-8-4-2-6-15-11(8)9/h1-6,10,17H,7H2,(H2,14,18)(H,16,19).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-8-carboxamide has a molecular weight of 259.27 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-8-carboxamide is sourced from PubChem (CID 106165340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).