7-(quinolin-2-ylmethoxy)-N-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]naphthalene-2-carboxamide

C30H24N6O2 — CID 10074704

IUPAC7-(quinolin-2-ylmethoxy)-N-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCc1ccc(-c2nn[nH]n2)cc1)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
InChIInChI=1S/C30H24N6O2/c37-30(31-16-15-20-5-7-23(8-6-20)29-33-35-36-34-29)24-10-9-21-12-14-27(18-25(21)17-24)38-19-26-13-11-22-3-1-2-4-28(22)32-26/h1-14,17-18H,15-16,19H2,(H,31,37)(H,33,34,35,36)
InChIKeyWRUOBLKMAADSPN-UHFFFAOYSA-N
MW500.56 g/mol
LogP5.12
Rot. Bonds8

About 7-(quinolin-2-ylmethoxy)-N-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]naphthalene-2-carboxamide

7-(quinolin-2-ylmethoxy)-N-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]naphthalene-2-carboxamide (PubChem CID 10074704) has the molecular formula C30H24N6O2 and a molecular weight of 500.56 g/mol. Its IUPAC name is 7-(quinolin-2-ylmethoxy)-N-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-(quinolin-2-ylmethoxy)-N-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]naphthalene-2-carboxamide
PubChem CID10074704
Molecular FormulaC30H24N6O2
Molecular Weight500.56 g/mol
Exact Mass500.20
IUPAC Name7-(quinolin-2-ylmethoxy)-N-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCc1ccc(-c2nn[nH]n2)cc1)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
InChIInChI=1S/C30H24N6O2/c37-30(31-16-15-20-5-7-23(8-6-20)29-33-35-36-34-29)24-10-9-21-12-14-27(18-25(21)17-24)38-19-26-13-11-22-3-1-2-4-28(22)32-26/h1-14,17-18H,15-16,19H2,(H,31,37)(H,33,34,35,36)
InChIKeyWRUOBLKMAADSPN-UHFFFAOYSA-N
XLogP5.12
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 ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(quinolin-2-ylmethoxy)-N-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]naphthalene-2-carboxamide?
The IUPAC name of 7-(quinolin-2-ylmethoxy)-N-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]naphthalene-2-carboxamide (CID 10074704) is 7-(quinolin-2-ylmethoxy)-N-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 7-(quinolin-2-ylmethoxy)-N-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 7-(quinolin-2-ylmethoxy)-N-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]naphthalene-2-carboxamide is O=C(NCCc1ccc(-c2nn[nH]n2)cc1)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1.
What is the InChIKey of 7-(quinolin-2-ylmethoxy)-N-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]naphthalene-2-carboxamide?
The InChIKey is WRUOBLKMAADSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O2/c37-30(31-16-15-20-5-7-23(8-6-20)29-33-35-36-34-29)24-10-9-21-12-14-27(18-25(21)17-24)38-19-26-13-11-22-3-1-2-4-28(22)32-26/h1-14,17-18H,15-16,19H2,(H,31,37)(H,33,34,35,36).
What are the key properties of 7-(quinolin-2-ylmethoxy)-N-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]naphthalene-2-carboxamide?
7-(quinolin-2-ylmethoxy)-N-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]naphthalene-2-carboxamide has a molecular weight of 500.56 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(quinolin-2-ylmethoxy)-N-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 10074704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).