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

C30H24N6O2 — CID 10481103

IUPAC2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1)NCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C30H24N6O2/c37-29(31-18-20-5-8-23(9-6-20)30-33-35-36-34-30)16-21-7-10-25-17-27(14-12-24(25)15-21)38-19-26-13-11-22-3-1-2-4-28(22)32-26/h1-15,17H,16,18-19H2,(H,31,37)(H,33,34,35,36)
InChIKeyVRNGVHXOTQCSCX-UHFFFAOYSA-N
MW500.56 g/mol
LogP5.01
Rot. Bonds8

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

2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide (PubChem CID 10481103) has the molecular formula C30H24N6O2 and a molecular weight of 500.56 g/mol. Its IUPAC name is 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
PubChem CID10481103
Molecular FormulaC30H24N6O2
Molecular Weight500.56 g/mol
Exact Mass500.20
IUPAC Name2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1)NCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C30H24N6O2/c37-29(31-18-20-5-8-23(9-6-20)30-33-35-36-34-30)16-21-7-10-25-17-27(14-12-24(25)15-21)38-19-26-13-11-22-3-1-2-4-28(22)32-26/h1-15,17H,16,18-19H2,(H,31,37)(H,33,34,35,36)
InChIKeyVRNGVHXOTQCSCX-UHFFFAOYSA-N
XLogP5.01
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide (CID 10481103) is 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide is O=C(Cc1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1)NCc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?
The InChIKey is VRNGVHXOTQCSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O2/c37-29(31-18-20-5-8-23(9-6-20)30-33-35-36-34-30)16-21-7-10-25-17-27(14-12-24(25)15-21)38-19-26-13-11-22-3-1-2-4-28(22)32-26/h1-15,17H,16,18-19H2,(H,31,37)(H,33,34,35,36).
What are the key properties of 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?
2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide has a molecular weight of 500.56 g/mol, XLogP of 5.01, 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-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 10481103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).