N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide

C17H18N6O2 — CID 91790371

IUPACN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C17H18N6O2/c24-14-6-12(7-14)17(20-16(25)9-23-10-19-21-22-23)13-5-11-3-1-2-4-15(11)18-8-13/h1-5,8,10,12,14,17,24H,6-7,9H2,(H,20,25)
InChIKeyWBYBBFGUBIBIDJ-UHFFFAOYSA-N
MW338.37 g/mol
LogP0.85
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide

N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 91790371) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID91790371
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C17H18N6O2/c24-14-6-12(7-14)17(20-16(25)9-23-10-19-21-22-23)13-5-11-3-1-2-4-15(11)18-8-13/h1-5,8,10,12,14,17,24H,6-7,9H2,(H,20,25)
InChIKeyWBYBBFGUBIBIDJ-UHFFFAOYSA-N
XLogP0.85
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide (CID 91790371) is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NC(c1cnc2ccccc2c1)C1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is WBYBBFGUBIBIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-14-6-12(7-14)17(20-16(25)9-23-10-19-21-22-23)13-5-11-3-1-2-4-15(11)18-8-13/h1-5,8,10,12,14,17,24H,6-7,9H2,(H,20,25).
What are the key properties of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide?
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 338.37 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 91790371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).