N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide

C20H16F3N5O — CID 1466229

IUPACN-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
SMILESCc1cccc2cc(CN(Cc3ccccc3)C(=O)C(F)(F)F)c3nnnn3c12
InChIInChI=1S/C20H16F3N5O/c1-13-6-5-9-15-10-16(18-24-25-26-28(18)17(13)15)12-27(19(29)20(21,22)23)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKeyFIZANOMHHVMLHK-UHFFFAOYSA-N
MW399.38 g/mol
LogP3.68
Rot. Bonds4

About N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide

N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide (PubChem CID 1466229) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
PubChem CID1466229
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC NameN-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
SMILESCc1cccc2cc(CN(Cc3ccccc3)C(=O)C(F)(F)F)c3nnnn3c12
InChIInChI=1S/C20H16F3N5O/c1-13-6-5-9-15-10-16(18-24-25-26-28(18)17(13)15)12-27(19(29)20(21,22)23)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKeyFIZANOMHHVMLHK-UHFFFAOYSA-N
XLogP3.68
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1466244
N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466226
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide
CID 1466287
N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
CID 1459667
N-[(4-methylphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466295
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride
CID 171668574
3-methyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 3216749
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1459629
3-benzyl-1-cyclopentyl-1-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
CID 1466192
N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466370
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 3216740
N-[(2-methoxyphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide
CID 1466331

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide?
The IUPAC name of N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide (CID 1466229) is N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide is Cc1cccc2cc(CN(Cc3ccccc3)C(=O)C(F)(F)F)c3nnnn3c12.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide?
The InChIKey is FIZANOMHHVMLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-13-6-5-9-15-10-16(18-24-25-26-28(18)17(13)15)12-27(19(29)20(21,22)23)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3.
What are the key properties of N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide?
N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide has a molecular weight of 399.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide is sourced from PubChem (CID 1466229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).