N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide

C21H21N5OS — CID 1466271

IUPACN-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide
SMILESCc1cccc2cc(CN(Cc3cccs3)C(=O)C3CCC3)c3nnnn3c12
InChIInChI=1S/C21H21N5OS/c1-14-5-2-8-16-11-17(20-22-23-24-26(20)19(14)16)12-25(13-18-9-4-10-28-18)21(27)15-6-3-7-15/h2,4-5,8-11,15H,3,6-7,12-13H2,1H3
InChIKeyCJKKXQRXZCSHCM-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.98
Rot. Bonds5

About N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide

N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide (PubChem CID 1466271) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide
PubChem CID1466271
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC NameN-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide
SMILESCc1cccc2cc(CN(Cc3cccs3)C(=O)C3CCC3)c3nnnn3c12
InChIInChI=1S/C21H21N5OS/c1-14-5-2-8-16-11-17(20-22-23-24-26(20)19(14)16)12-25(13-18-9-4-10-28-18)21(27)15-6-3-7-15/h2,4-5,8-11,15H,3,6-7,12-13H2,1H3
InChIKeyCJKKXQRXZCSHCM-UHFFFAOYSA-N
XLogP3.98
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide
CID 1466331
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride
CID 171668574
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 1466234
N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-4-carboxamide
CID 3216736
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459597
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
CID 43813550
N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
CID 1466202
3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 1466242
N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
CID 1466214
N-cyclopentyl-N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide
CID 1459577
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 3216740
3-benzyl-1-cyclopentyl-1-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
CID 1466192

Frequently Asked Questions

What is the IUPAC name of N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide?
The IUPAC name of N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide (CID 1466271) is N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide?
The canonical SMILES for N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide is Cc1cccc2cc(CN(Cc3cccs3)C(=O)C3CCC3)c3nnnn3c12.
What is the InChIKey of N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide?
The InChIKey is CJKKXQRXZCSHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-14-5-2-8-16-11-17(20-22-23-24-26(20)19(14)16)12-25(13-18-9-4-10-28-18)21(27)15-6-3-7-15/h2,4-5,8-11,15H,3,6-7,12-13H2,1H3.
What are the key properties of N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide?
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide has a molecular weight of 391.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide is sourced from PubChem (CID 1466271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).