N-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide

C15H14N6O3 — CID 3420478

IUPACN-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide
SMILESO=C(NC(CO)C(=O)Nn1cnnc1)c1ccc2ccccc2n1
InChIInChI=1S/C15H14N6O3/c22-7-13(15(24)20-21-8-16-17-9-21)19-14(23)12-6-5-10-3-1-2-4-11(10)18-12/h1-6,8-9,13,22H,7H2,(H,19,23)(H,20,24)
InChIKeyUHYDWTJZWAEWQD-UHFFFAOYSA-N
MW326.32 g/mol
LogP-0.31
Rot. Bonds5

About N-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide

N-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide (PubChem CID 3420478) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide
PubChem CID3420478
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC NameN-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide
SMILESO=C(NC(CO)C(=O)Nn1cnnc1)c1ccc2ccccc2n1
InChIInChI=1S/C15H14N6O3/c22-7-13(15(24)20-21-8-16-17-9-21)19-14(23)12-6-5-10-3-1-2-4-11(10)18-12/h1-6,8-9,13,22H,7H2,(H,19,23)(H,20,24)
InChIKeyUHYDWTJZWAEWQD-UHFFFAOYSA-N
XLogP-0.31
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-2-carboxamide
CID 6723977
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide
CID 6723979
(2S)-2-(quinoline-2-carbonylamino)pentanoic acid
CID 107564261
N-[1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-2-carboxamide
CID 4258209
N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]quinoline-2-carboxamide
CID 6724000
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
2-methyl-N-[4-methyl-1-oxo-1-(1,2,4-triazol-4-ylamino)pentan-2-yl]benzamide
CID 75413015
N-[4-methylsulfanyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]quinoline-2-carboxamide
CID 51098462
N-(tetrazol-1-yl)quinoline-2-carboxamide
CID 154425087
N-[3-hydroxy-1-(morpholin-4-ylamino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 3494740
3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
CID 16795877
[3-methyl-1-[[4-phenyl-2-(quinoline-2-carbonylamino)butanoyl]amino]butyl]boronic acid
CID 3723260

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide?
The IUPAC name of N-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide (CID 3420478) is N-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide is O=C(NC(CO)C(=O)Nn1cnnc1)c1ccc2ccccc2n1.
What is the InChIKey of N-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide?
The InChIKey is UHYDWTJZWAEWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c22-7-13(15(24)20-21-8-16-17-9-21)19-14(23)12-6-5-10-3-1-2-4-11(10)18-12/h1-6,8-9,13,22H,7H2,(H,19,23)(H,20,24).
What are the key properties of N-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide?
N-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide has a molecular weight of 326.32 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-2-carboxamide is sourced from PubChem (CID 3420478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).