6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one

C21H21N5O2 — CID 23454021

IUPAC6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one
SMILESO=c1ccc2cc(OCCCc3nnnn3CCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C21H21N5O2/c27-21-11-8-17-15-18(9-10-19(17)22-21)28-14-4-7-20-23-24-25-26(20)13-12-16-5-2-1-3-6-16/h1-3,5-6,8-11,15H,4,7,12-14H2,(H,22,27)
InChIKeyHYIOULIKZLIPKZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.77
Rot. Bonds8

About 6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one

6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one (PubChem CID 23454021) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one
PubChem CID23454021
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one
SMILESO=c1ccc2cc(OCCCc3nnnn3CCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C21H21N5O2/c27-21-11-8-17-15-18(9-10-19(17)22-21)28-14-4-7-20-23-24-25-26(20)13-12-16-5-2-1-3-6-16/h1-3,5-6,8-11,15H,4,7,12-14H2,(H,22,27)
InChIKeyHYIOULIKZLIPKZ-UHFFFAOYSA-N
XLogP2.77
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.77
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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Related Compounds

6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one
CID 23454092
6-ethoxy-3-[[2-phenylethyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 3200642
6-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3199035
6-(2-chloroethoxy)-1H-quinolin-2-one
CID 20540025
3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol
CID 84759563
6-[4-(4-phenylphenyl)sulfonylbutoxy]-1H-quinolin-2-one
CID 20539981
3-[[cyclopentyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 4171458
3-[[(4-methoxyphenyl)methyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1464033
6-ethoxy-3-[[[(2S)-oxolan-2-yl]methyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 28643489
N-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide
CID 15572912
6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one
CID 13363014
1,2-dichlorobenzene;6-(4-sulfinylbutoxy)-1H-quinolin-2-one
CID 88706822

Frequently Asked Questions

What is the IUPAC name of 6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one?
The IUPAC name of 6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one (CID 23454021) is 6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one?
The canonical SMILES for 6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one is O=c1ccc2cc(OCCCc3nnnn3CCc3ccccc3)ccc2[nH]1.
What is the InChIKey of 6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one?
The InChIKey is HYIOULIKZLIPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-21-11-8-17-15-18(9-10-19(17)22-21)28-14-4-7-20-23-24-25-26(20)13-12-16-5-2-1-3-6-16/h1-3,5-6,8-11,15H,4,7,12-14H2,(H,22,27).
What are the key properties of 6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one?
6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one has a molecular weight of 375.43 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one is sourced from PubChem (CID 23454021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).