2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide

C19H19N5O2S — CID 1459552

IUPAC2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCC(=O)N(Cc1cccs1)Cc1cc2ccc(C)cc2n2nnnc12
InChIInChI=1S/C19H19N5O2S/c1-13-5-6-14-9-15(19-20-21-22-24(19)17(14)8-13)10-23(18(25)12-26-2)11-16-4-3-7-27-16/h3-9H,10-12H2,1-2H3
InChIKeyNMKHRYJHKQOTME-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.82
Rot. Bonds6

About 2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide

2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1459552) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1459552
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCC(=O)N(Cc1cccs1)Cc1cc2ccc(C)cc2n2nnnc12
InChIInChI=1S/C19H19N5O2S/c1-13-5-6-14-9-15(19-20-21-22-24(19)17(14)8-13)10-23(18(25)12-26-2)11-16-4-3-7-27-16/h3-9H,10-12H2,1-2H3
InChIKeyNMKHRYJHKQOTME-UHFFFAOYSA-N
XLogP2.82
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459597
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 645364
1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 1466444
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459828
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
CID 3216778
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459867
N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 5020449
N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3216808
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide
CID 1466271
1-(2-methoxyethyl)-3-(4-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 3221135
3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 1459509
N-cyclohexyl-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide
CID 3866532

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide (CID 1459552) is 2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide is COCC(=O)N(Cc1cccs1)Cc1cc2ccc(C)cc2n2nnnc12.
What is the InChIKey of 2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is NMKHRYJHKQOTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-13-5-6-14-9-15(19-20-21-22-24(19)17(14)8-13)10-23(18(25)12-26-2)11-16-4-3-7-27-16/h3-9H,10-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1459552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).