5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one

C20H27N5O2 — CID 11726587

IUPAC5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cccc2OCCCCc2nnnn2C2CCCCC2)N1
InChIInChI=1S/C20H27N5O2/c26-20-13-12-16-17(21-20)9-6-10-18(16)27-14-5-4-11-19-22-23-24-25(19)15-7-2-1-3-8-15/h6,9-10,15H,1-5,7-8,11-14H2,(H,21,26)
InChIKeyJDLQDENOWJGKSL-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.46
Rot. Bonds7

About 5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one

5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 11726587) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID11726587
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cccc2OCCCCc2nnnn2C2CCCCC2)N1
InChIInChI=1S/C20H27N5O2/c26-20-13-12-16-17(21-20)9-6-10-18(16)27-14-5-4-11-19-22-23-24-25(19)15-7-2-1-3-8-15/h6,9-10,15H,1-5,7-8,11-14H2,(H,21,26)
InChIKeyJDLQDENOWJGKSL-UHFFFAOYSA-N
XLogP3.46
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.46
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 5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one (CID 11726587) is 5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(cccc2OCCCCc2nnnn2C2CCCCC2)N1.
What is the InChIKey of 5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JDLQDENOWJGKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-20-13-12-16-17(21-20)9-6-10-18(16)27-14-5-4-11-19-22-23-24-25(19)15-7-2-1-3-8-15/h6,9-10,15H,1-5,7-8,11-14H2,(H,21,26).
What are the key properties of 5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one?
5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 369.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 11726587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).