1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone

C18H17N5O — CID 2433301

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N1CCCc2ccccc21
InChIInChI=1S/C18H17N5O/c24-17(22-12-6-10-14-7-4-5-11-16(14)22)13-23-20-18(19-21-23)15-8-2-1-3-9-15/h1-5,7-9,11H,6,10,12-13H2
InChIKeyOGNMTXHEKBMULK-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.32
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone (PubChem CID 2433301) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
PubChem CID2433301
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N1CCCc2ccccc21
InChIInChI=1S/C18H17N5O/c24-17(22-12-6-10-14-7-4-5-11-16(14)22)13-23-20-18(19-21-23)15-8-2-1-3-9-15/h1-5,7-9,11H,6,10,12-13H2
InChIKeyOGNMTXHEKBMULK-UHFFFAOYSA-N
XLogP2.32
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]ethanone
CID 1129875
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 3136446
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone
CID 646381
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7589240
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 24564897
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]ethanone
CID 60617604
5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 30937109
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone (CID 2433301) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone is O=C(Cn1nnc(-c2ccccc2)n1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
The InChIKey is OGNMTXHEKBMULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-17(22-12-6-10-14-7-4-5-11-16(14)22)13-23-20-18(19-21-23)15-8-2-1-3-9-15/h1-5,7-9,11H,6,10,12-13H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone has a molecular weight of 319.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone is sourced from PubChem (CID 2433301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).