6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one

C20H27N5O3 — CID 10045635

IUPAC6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(O)c2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1
InChIInChI=1S/C20H27N5O3/c26-18-13-20(27)21-17-10-9-15(12-16(17)18)28-11-5-4-8-19-22-23-24-25(19)14-6-2-1-3-7-14/h9-10,12,14,18,26H,1-8,11,13H2,(H,21,27)
InChIKeyFCWDVHXHKQJPQA-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.96
Rot. Bonds7

About 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one

6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 10045635) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID10045635
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(O)c2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1
InChIInChI=1S/C20H27N5O3/c26-18-13-20(27)21-17-10-9-15(12-16(17)18)28-11-5-4-8-19-22-23-24-25(19)14-6-2-1-3-7-14/h9-10,12,14,18,26H,1-8,11,13H2,(H,21,27)
InChIKeyFCWDVHXHKQJPQA-UHFFFAOYSA-N
XLogP2.96
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one (CID 10045635) is 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one is O=C1CC(O)c2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1.
What is the InChIKey of 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FCWDVHXHKQJPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-18-13-20(27)21-17-10-9-15(12-16(17)18)28-11-5-4-8-19-22-23-24-25(19)14-6-2-1-3-7-14/h9-10,12,14,18,26H,1-8,11,13H2,(H,21,27).
What are the key properties of 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one?
6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 385.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 10045635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).