N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide

C25H21N5O — CID 1466370

IUPACN-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
SMILESCc1ccc2c(c1)cc(CN(Cc1ccccc1)C(=O)c1ccccc1)c1nnnn12
InChIInChI=1S/C25H21N5O/c1-18-12-13-23-21(14-18)15-22(24-26-27-28-30(23)24)17-29(16-19-8-4-2-5-9-19)25(31)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3
InChIKeyUDLKSWCJAUOFDS-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.43
Rot. Bonds5

About N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide

N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide (PubChem CID 1466370) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
PubChem CID1466370
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC NameN-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
SMILESCc1ccc2c(c1)cc(CN(Cc1ccccc1)C(=O)c1ccccc1)c1nnnn12
InChIInChI=1S/C25H21N5O/c1-18-12-13-23-21(14-18)15-22(24-26-27-28-30(23)24)17-29(16-19-8-4-2-5-9-19)25(31)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3
InChIKeyUDLKSWCJAUOFDS-UHFFFAOYSA-N
XLogP4.43
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466456
N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 43813460
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 43813556
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1459629
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 645364
3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 3216762
N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466226
N-[(4-methylphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466295
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 3216780
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 1466402
3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1459393
1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 1466444

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide?
The IUPAC name of N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide (CID 1466370) is N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide.
What is the SMILES notation for N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide?
The canonical SMILES for N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide is Cc1ccc2c(c1)cc(CN(Cc1ccccc1)C(=O)c1ccccc1)c1nnnn12.
What is the InChIKey of N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide?
The InChIKey is UDLKSWCJAUOFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c1-18-12-13-23-21(14-18)15-22(24-26-27-28-30(23)24)17-29(16-19-8-4-2-5-9-19)25(31)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3.
What are the key properties of N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide?
N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide has a molecular weight of 407.48 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide is sourced from PubChem (CID 1466370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).