N-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide

C16H16N6O — CID 138020774

IUPACN-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1nnc(-c2ccc3ncccc3c2)n1)C1CC1
InChIInChI=1S/C16H16N6O/c23-16(11-3-4-11)18-8-9-22-20-15(19-21-22)13-5-6-14-12(10-13)2-1-7-17-14/h1-2,5-7,10-11H,3-4,8-9H2,(H,18,23)
InChIKeyWIMBZAYHPZBKCL-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.41
Rot. Bonds5

About N-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide

N-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide (PubChem CID 138020774) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide
PubChem CID138020774
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC NameN-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1nnc(-c2ccc3ncccc3c2)n1)C1CC1
InChIInChI=1S/C16H16N6O/c23-16(11-3-4-11)18-8-9-22-20-15(19-21-22)13-5-6-14-12(10-13)2-1-7-17-14/h1-2,5-7,10-11H,3-4,8-9H2,(H,18,23)
InChIKeyWIMBZAYHPZBKCL-UHFFFAOYSA-N
XLogP1.41
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide (CID 138020774) is N-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide is O=C(NCCn1nnc(-c2ccc3ncccc3c2)n1)C1CC1.
What is the InChIKey of N-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is WIMBZAYHPZBKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-16(11-3-4-11)18-8-9-22-20-15(19-21-22)13-5-6-14-12(10-13)2-1-7-17-14/h1-2,5-7,10-11H,3-4,8-9H2,(H,18,23).
What are the key properties of N-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide?
N-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 138020774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).