2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide

C20H18N6O — CID 8852353

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C20H18N6O/c1-13-17-8-3-4-9-19(17)22-14(2)18(13)11-20(27)23-15-6-5-7-16(10-15)26-12-21-24-25-26/h3-10,12H,11H2,1-2H3,(H,23,27)
InChIKeyFLAPHSAFHHGEIP-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.01
Rot. Bonds4

About 2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide

2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 8852353) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
PubChem CID8852353
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C20H18N6O/c1-13-17-8-3-4-9-19(17)22-14(2)18(13)11-20(27)23-15-6-5-7-16(10-15)26-12-21-24-25-26/h3-10,12H,11H2,1-2H3,(H,23,27)
InChIKeyFLAPHSAFHHGEIP-UHFFFAOYSA-N
XLogP3.01
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 146021420
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55532542
N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide
CID 36561953
2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide
CID 39230533
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 26364618
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
2-(2,4-dimethylquinolin-3-yl)-N-pyridin-3-ylacetamide
CID 32789123
2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide
CID 8886793
2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide
CID 18146501
3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 17445534

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide (CID 8852353) is 2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide is Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is FLAPHSAFHHGEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-13-17-8-3-4-9-19(17)22-14(2)18(13)11-20(27)23-15-6-5-7-16(10-15)26-12-21-24-25-26/h3-10,12H,11H2,1-2H3,(H,23,27).
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 358.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 8852353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).