6-(quinolin-2-ylmethoxy)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]naphthalene-2-carboxamide

C29H22N6O2 — CID 23224681

IUPAC6-(quinolin-2-ylmethoxy)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCc1cccc(-c2nn[nH]n2)c1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C29H22N6O2/c36-29(30-17-19-4-3-6-23(14-19)28-32-34-35-33-28)24-9-8-22-16-26(13-11-21(22)15-24)37-18-25-12-10-20-5-1-2-7-27(20)31-25/h1-16H,17-18H2,(H,30,36)(H,32,33,34,35)
InChIKeySMWNOTIMNOEYHN-UHFFFAOYSA-N
MW486.54 g/mol
LogP5.08
Rot. Bonds7

About 6-(quinolin-2-ylmethoxy)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]naphthalene-2-carboxamide

6-(quinolin-2-ylmethoxy)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]naphthalene-2-carboxamide (PubChem CID 23224681) has the molecular formula C29H22N6O2 and a molecular weight of 486.54 g/mol. Its IUPAC name is 6-(quinolin-2-ylmethoxy)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-(quinolin-2-ylmethoxy)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]naphthalene-2-carboxamide
PubChem CID23224681
Molecular FormulaC29H22N6O2
Molecular Weight486.54 g/mol
Exact Mass486.18
IUPAC Name6-(quinolin-2-ylmethoxy)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCc1cccc(-c2nn[nH]n2)c1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C29H22N6O2/c36-29(30-17-19-4-3-6-23(14-19)28-32-34-35-33-28)24-9-8-22-16-26(13-11-21(22)15-24)37-18-25-12-10-20-5-1-2-7-27(20)31-25/h1-16H,17-18H2,(H,30,36)(H,32,33,34,35)
InChIKeySMWNOTIMNOEYHN-UHFFFAOYSA-N
XLogP5.08
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(quinolin-2-ylmethoxy)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]naphthalene-2-carboxamide?
The IUPAC name of 6-(quinolin-2-ylmethoxy)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]naphthalene-2-carboxamide (CID 23224681) is 6-(quinolin-2-ylmethoxy)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-(quinolin-2-ylmethoxy)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-(quinolin-2-ylmethoxy)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]naphthalene-2-carboxamide is O=C(NCc1cccc(-c2nn[nH]n2)c1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of 6-(quinolin-2-ylmethoxy)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]naphthalene-2-carboxamide?
The InChIKey is SMWNOTIMNOEYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N6O2/c36-29(30-17-19-4-3-6-23(14-19)28-32-34-35-33-28)24-9-8-22-16-26(13-11-21(22)15-24)37-18-25-12-10-20-5-1-2-7-27(20)31-25/h1-16H,17-18H2,(H,30,36)(H,32,33,34,35).
What are the key properties of 6-(quinolin-2-ylmethoxy)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]naphthalene-2-carboxamide?
6-(quinolin-2-ylmethoxy)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]naphthalene-2-carboxamide has a molecular weight of 486.54 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(quinolin-2-ylmethoxy)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 23224681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).