2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-8-ylacetamide

C17H14N6O2 — CID 653212

IUPAC2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-8-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3cccc4cccnc34)n2)o1
InChIInChI=1S/C17H14N6O2/c1-11-7-8-14(25-11)17-20-22-23(21-17)10-15(24)19-13-6-2-4-12-5-3-9-18-16(12)13/h2-9H,10H2,1H3,(H,19,24)
InChIKeyIXVBBXYOSPEESJ-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.43
Rot. Bonds4

About 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-8-ylacetamide

2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-8-ylacetamide (PubChem CID 653212) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-8-ylacetamide
PubChem CID653212
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-8-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3cccc4cccnc34)n2)o1
InChIInChI=1S/C17H14N6O2/c1-11-7-8-14(25-11)17-20-22-23(21-17)10-15(24)19-13-6-2-4-12-5-3-9-18-16(12)13/h2-9H,10H2,1H3,(H,19,24)
InChIKeyIXVBBXYOSPEESJ-UHFFFAOYSA-N
XLogP2.43
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-3-Furan-2-yl-N-quinolin-8-yl-acrylamide
CID 750959
N-[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-acetamide
CID 44216145
2-(Benzyl-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-N-cyclopentyl-2-pyridin-4-yl-acetamide
CID 644684
N-Cyclohexylcarbamoylmethyl-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-quinolin-3-yl-acetamide
CID 655643
3-(5-Methyl-furan-2-yl)-N-quinolin-8-yl-acrylamide
CID 721180
N-Cyclopentyl-2-((2-fluoro-benzyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180457
N-Cyclopentyl-2-((4-fluoro-benzyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180459
N-Cyclopentyl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-p-tolyl-amino)-2-pyridin-4-yl-acetamide
CID 3180486
N-(Isopropylcarbamoyl-methyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-quinolin-3-yl-acetamide
CID 653591
N-Cyclopentyl-2-((2-fluoro-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180498
N-Cyclopentylcarbamoylmethyl-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-quinolin-3-yl-acetamide
CID 650935
2-(Benzyl-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-N-tert-butyl-2-pyridin-4-yl-acetamide
CID 652485

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-8-ylacetamide (CID 653212) is 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-8-ylacetamide is Cc1ccc(-c2nnn(CC(=O)Nc3cccc4cccnc34)n2)o1.
What is the InChIKey of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-8-ylacetamide?
The InChIKey is IXVBBXYOSPEESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-11-7-8-14(25-11)17-20-22-23(21-17)10-15(24)19-13-6-2-4-12-5-3-9-18-16(12)13/h2-9H,10H2,1H3,(H,19,24).
What are the key properties of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-8-ylacetamide?
2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-8-ylacetamide has a molecular weight of 334.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 653212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).