1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone

C19H19N5O — CID 863239

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
SMILESCc1ccc(-c2nnn(CC(=O)N3CCCc4ccccc43)n2)cc1
InChIInChI=1S/C19H19N5O/c1-14-8-10-16(11-9-14)19-20-22-24(21-19)13-18(25)23-12-4-6-15-5-2-3-7-17(15)23/h2-3,5,7-11H,4,6,12-13H2,1H3
InChIKeyBOXJHVNHYPGYSF-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.63
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone (PubChem CID 863239) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
PubChem CID863239
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
SMILESCc1ccc(-c2nnn(CC(=O)N3CCCc4ccccc43)n2)cc1
InChIInChI=1S/C19H19N5O/c1-14-8-10-16(11-9-14)19-20-22-24(21-19)13-18(25)23-12-4-6-15-5-2-3-7-17(15)23/h2-3,5,7-11H,4,6,12-13H2,1H3
InChIKeyBOXJHVNHYPGYSF-UHFFFAOYSA-N
XLogP2.63
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cyclobutanecarboxylic acid (3-{2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 651981
1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]ethanone
CID 3438303
N-(2-Morpholin-4-yl-phenyl)-2-(5-p-tolyl-tetrazol-2-yl)-acetamide
CID 644884
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-[5-(4-morpholin-4-ylmethyl-phenyl)-tetrazol-2-yl]-ethanone
CID 646381
N-(2-{2-[2-(2-Methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 650750
1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]ethanone
CID 652670
N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1136633
2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide
CID 1157274
1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
CID 1175395
1-(4-fluorophenyl)-4-[(5-phenyl-2H-tetrazol-2-yl)acetyl]piperazine
CID 1264121
N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide
CID 1440203
N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 1462999

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone (CID 863239) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone is Cc1ccc(-c2nnn(CC(=O)N3CCCc4ccccc43)n2)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The InChIKey is BOXJHVNHYPGYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-8-10-16(11-9-14)19-20-22-24(21-19)13-18(25)23-12-4-6-15-5-2-3-7-17(15)23/h2-3,5,7-11H,4,6,12-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone has a molecular weight of 333.40 g/mol, XLogP of 2.63, 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-(4-methylphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 863239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).