1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone

C22H21N7O — CID 55679934

IUPAC1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone
SMILESO=C(Cc1cccc2cccnc12)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C22H21N7O/c30-20(16-18-7-4-6-17-8-5-11-23-21(17)18)27-12-14-28(15-13-27)22-24-25-26-29(22)19-9-2-1-3-10-19/h1-11H,12-16H2
InChIKeyBKADAKILAUWLKL-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.10
Rot. Bonds4

About 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone

1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone (PubChem CID 55679934) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone.

Molecular Properties

Compound Name1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone
PubChem CID55679934
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone
SMILESO=C(Cc1cccc2cccnc12)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C22H21N7O/c30-20(16-18-7-4-6-17-8-5-11-23-21(17)18)27-12-14-28(15-13-27)22-24-25-26-29(22)19-9-2-1-3-10-19/h1-11H,12-16H2
InChIKeyBKADAKILAUWLKL-UHFFFAOYSA-N
XLogP2.10
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone
CID 51320584
1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-prop-2-enylsulfanylethanone
CID 51086980
6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514844
10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one
CID 43073615
morpholin-4-yl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 17493615
8-methyl-3-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 43073607
1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 55601179
3-(2-methylpropoxy)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one
CID 55689866
(Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one
CID 94657819
1-[4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 134788702
(2-bromophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 2243329
3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55636487

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone?
The IUPAC name of 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone (CID 55679934) is 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone.
What is the SMILES notation for 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone?
The canonical SMILES for 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone is O=C(Cc1cccc2cccnc12)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone?
The InChIKey is BKADAKILAUWLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c30-20(16-18-7-4-6-17-8-5-11-23-21(17)18)27-12-14-28(15-13-27)22-24-25-26-29(22)19-9-2-1-3-10-19/h1-11H,12-16H2.
What are the key properties of 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone?
1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone has a molecular weight of 399.46 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone is sourced from PubChem (CID 55679934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).