2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide

C31H26N6O2 — CID 54221166

IUPAC2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cc2nn[nH]n2)cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C31H26N6O2/c1-20(31(38)33-26-12-6-21(7-13-26)16-30-34-36-37-35-30)23-8-9-25-18-28(15-11-24(25)17-23)39-19-27-14-10-22-4-2-3-5-29(22)32-27/h2-15,17-18,20H,16,19H2,1H3,(H,33,38)(H,34,35,36,37)
InChIKeyQCRYFYQLERRCCG-UHFFFAOYSA-N
MW514.59 g/mol
LogP5.81
Rot. Bonds8

About 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide

2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide (PubChem CID 54221166) has the molecular formula C31H26N6O2 and a molecular weight of 514.59 g/mol. Its IUPAC name is 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
PubChem CID54221166
Molecular FormulaC31H26N6O2
Molecular Weight514.59 g/mol
Exact Mass514.21
IUPAC Name2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cc2nn[nH]n2)cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C31H26N6O2/c1-20(31(38)33-26-12-6-21(7-13-26)16-30-34-36-37-35-30)23-8-9-25-18-28(15-11-24(25)17-23)39-19-27-14-10-22-4-2-3-5-29(22)32-27/h2-15,17-18,20H,16,19H2,1H3,(H,33,38)(H,34,35,36,37)
InChIKeyQCRYFYQLERRCCG-UHFFFAOYSA-N
XLogP5.81
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide with MolForge

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Related Compounds

methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate
CID 54314430
2-[[4-[2-[4-(2H-tetrazol-5-ylmethyl)phenyl]propyl]phenoxy]methyl]quinoline
CID 14995138
2-[[4-[2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline
CID 54189770
2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline
CID 14650343
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
2-amino-2-(hydroxymethyl)propane-1,3-diol;(2S)-2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid
CID 10435196
2-[[4-[1-phenyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
CID 14750546
2-[[2-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 22616039
2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 19856213
2-[[4-[[3-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]phenoxy]methyl]quinoline
CID 19856224
2-[[3-[3-[3-[3-(2H-tetrazol-5-yl)propoxy]phenyl]propyl]phenoxy]methyl]quinoline
CID 19856226
2-[[4-[(E)-2-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]ethenyl]phenoxy]methyl]quinoline
CID 15157915

Frequently Asked Questions

What is the IUPAC name of 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide (CID 54221166) is 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide is CC(C(=O)Nc1ccc(Cc2nn[nH]n2)cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide?
The InChIKey is QCRYFYQLERRCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N6O2/c1-20(31(38)33-26-12-6-21(7-13-26)16-30-34-36-37-35-30)23-8-9-25-18-28(15-11-24(25)17-23)39-19-27-14-10-22-4-2-3-5-29(22)32-27/h2-15,17-18,20H,16,19H2,1H3,(H,33,38)(H,34,35,36,37).
What are the key properties of 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide?
2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide has a molecular weight of 514.59 g/mol, XLogP of 5.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 54221166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).