2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide

C14H12N4O2 — CID 172628152

IUPAC2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide
SMILESNC(=O)c1cc(-n2cnc(CO)c2)nc2ccccc12
InChIInChI=1S/C14H12N4O2/c15-14(20)11-5-13(18-6-9(7-19)16-8-18)17-12-4-2-1-3-10(11)12/h1-6,8,19H,7H2,(H2,15,20)
InChIKeyNMIYPDONIYSVOR-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.01
Rot. Bonds3

About 2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide

2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide (PubChem CID 172628152) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide
PubChem CID172628152
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide
SMILESNC(=O)c1cc(-n2cnc(CO)c2)nc2ccccc12
InChIInChI=1S/C14H12N4O2/c15-14(20)11-5-13(18-6-9(7-19)16-8-18)17-12-4-2-1-3-10(11)12/h1-6,8,19H,7H2,(H2,15,20)
InChIKeyNMIYPDONIYSVOR-UHFFFAOYSA-N
XLogP1.01
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperidin-1-ylquinoline-4-carboxamide
CID 22481833
2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide
CID 63884867
2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide
CID 154817068
2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide
CID 146039796
2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]quinoline-4-carboxamide
CID 154567019
1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 63885030
2-formylquinoline-4-carboxamide
CID 15560688
2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117094553
2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide
CID 94022780
2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide
CID 65463226
2-(1H-pyrrol-2-yl)quinoline-4-carboxamide
CID 175947140
2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]quinoline-4-carboxamide
CID 175643931

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide?
The IUPAC name of 2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide (CID 172628152) is 2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide is NC(=O)c1cc(-n2cnc(CO)c2)nc2ccccc12.
What is the InChIKey of 2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide?
The InChIKey is NMIYPDONIYSVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-14(20)11-5-13(18-6-9(7-19)16-8-18)17-12-4-2-1-3-10(11)12/h1-6,8,19H,7H2,(H2,15,20).
What are the key properties of 2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide?
2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide is sourced from PubChem (CID 172628152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).