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

C20H18FN5O — CID 1466244

IUPACN-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2n2nnnc12
InChIInChI=1S/C20H18FN5O/c1-13-4-3-5-16-10-17(20-22-23-24-26(20)19(13)16)12-25(14(2)27)11-15-6-8-18(21)9-7-15/h3-10H,11-12H2,1-2H3
InChIKeyJQIZPXKRYLKIGA-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.27
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide (PubChem CID 1466244) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
PubChem CID1466244
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2n2nnnc12
InChIInChI=1S/C20H18FN5O/c1-13-4-3-5-16-10-17(20-22-23-24-26(20)19(13)16)12-25(14(2)27)11-15-6-8-18(21)9-7-15/h3-10H,11-12H2,1-2H3
InChIKeyJQIZPXKRYLKIGA-UHFFFAOYSA-N
XLogP3.27
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1466229
1-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-3,3-dimethylurea
CID 3849372
N-[(4-methylphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466295
N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466226
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1459629
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
CID 43813550
N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 856823
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide
CID 1466287
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-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
CID 1459648
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 3216740

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide (CID 1466244) is N-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide is CC(=O)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2n2nnnc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide?
The InChIKey is JQIZPXKRYLKIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-13-4-3-5-16-10-17(20-22-23-24-26(20)19(13)16)12-25(14(2)27)11-15-6-8-18(21)9-7-15/h3-10H,11-12H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide?
N-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide has a molecular weight of 363.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide is sourced from PubChem (CID 1466244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).