N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide

C21H21N5O — CID 1459629

IUPACN-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)Cc1cc2cc(C)c(C)cc2n2nnnc12
InChIInChI=1S/C21H21N5O/c1-14-9-18-11-19(21-22-23-24-26(21)20(18)10-15(14)2)13-25(16(3)27)12-17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3
InChIKeyKZYQNULBSPXXQG-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.44
Rot. Bonds4

About N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide

N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide (PubChem CID 1459629) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
PubChem CID1459629
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)Cc1cc2cc(C)c(C)cc2n2nnnc12
InChIInChI=1S/C21H21N5O/c1-14-9-18-11-19(21-22-23-24-26(21)20(18)10-15(14)2)13-25(16(3)27)12-17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3
InChIKeyKZYQNULBSPXXQG-UHFFFAOYSA-N
XLogP3.44
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide?
The IUPAC name of N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide (CID 1459629) is N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide.
What is the SMILES notation for N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide?
The canonical SMILES for N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide is CC(=O)N(Cc1ccccc1)Cc1cc2cc(C)c(C)cc2n2nnnc12.
What is the InChIKey of N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide?
The InChIKey is KZYQNULBSPXXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-9-18-11-19(21-22-23-24-26(21)20(18)10-15(14)2)13-25(16(3)27)12-17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3.
What are the key properties of N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide?
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide is sourced from PubChem (CID 1459629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).