6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one

C20H25N5O2 — CID 10021885

IUPAC6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one
SMILESO=c1ccc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2[nH]1
InChIInChI=1S/C20H25N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h9-12,14,16H,1-8,13H2,(H,21,26)
InChIKeyGHALECSGOJQOHW-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.42
Rot. Bonds7

About 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one

6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one (PubChem CID 10021885) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one
PubChem CID10021885
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one
SMILESO=c1ccc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2[nH]1
InChIInChI=1S/C20H25N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h9-12,14,16H,1-8,13H2,(H,21,26)
InChIKeyGHALECSGOJQOHW-UHFFFAOYSA-N
XLogP3.42
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one?
The IUPAC name of 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one (CID 10021885) is 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one is O=c1ccc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2[nH]1.
What is the InChIKey of 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one?
The InChIKey is GHALECSGOJQOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h9-12,14,16H,1-8,13H2,(H,21,26).
What are the key properties of 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one?
6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one has a molecular weight of 367.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one is sourced from PubChem (CID 10021885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).