N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide

C17H11FN6O — CID 51090537

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1F)c1cccc2cccnc12
InChIInChI=1S/C17H11FN6O/c18-14-7-6-12(24-10-20-22-23-24)9-15(14)21-17(25)13-5-1-3-11-4-2-8-19-16(11)13/h1-10H,(H,21,25)
InChIKeyMMWWGICWMARJRH-UHFFFAOYSA-N
MW334.31 g/mol
LogP2.60
Rot. Bonds3

About N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide (PubChem CID 51090537) has the molecular formula C17H11FN6O and a molecular weight of 334.31 g/mol. Its IUPAC name is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide
PubChem CID51090537
Molecular FormulaC17H11FN6O
Molecular Weight334.31 g/mol
Exact Mass334.10
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1F)c1cccc2cccnc12
InChIInChI=1S/C17H11FN6O/c18-14-7-6-12(24-10-20-22-23-24)9-15(14)21-17(25)13-5-1-3-11-4-2-8-19-16(11)13/h1-10H,(H,21,25)
InChIKeyMMWWGICWMARJRH-UHFFFAOYSA-N
XLogP2.60
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-cyanophenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
CID 55812092
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 63038441
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide
CID 51090541
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide
CID 56514274
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
CID 60556708
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663
N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55812157
N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 31930638

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide (CID 51090537) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide is O=C(Nc1cc(-n2cnnn2)ccc1F)c1cccc2cccnc12.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide?
The InChIKey is MMWWGICWMARJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN6O/c18-14-7-6-12(24-10-20-22-23-24)9-15(14)21-17(25)13-5-1-3-11-4-2-8-19-16(11)13/h1-10H,(H,21,25).
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide has a molecular weight of 334.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 51090537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).