N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide

C21H25N5O2 — CID 3216808

IUPACN-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
SMILESCc1ccc2cc(CN(CC3CCCO3)C(=O)C3CCC3)c3nnnn3c2c1
InChIInChI=1S/C21H25N5O2/c1-14-7-8-16-11-17(20-22-23-24-26(20)19(16)10-14)12-25(13-18-6-3-9-28-18)21(27)15-4-2-5-15/h7-8,10-11,15,18H,2-6,9,12-13H2,1H3
InChIKeyAFJXITUVGASEPZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.89
Rot. Bonds5

About N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide

N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide (PubChem CID 3216808) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
PubChem CID3216808
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
SMILESCc1ccc2cc(CN(CC3CCCO3)C(=O)C3CCC3)c3nnnn3c2c1
InChIInChI=1S/C21H25N5O2/c1-14-7-8-16-11-17(20-22-23-24-26(20)19(16)10-14)12-25(13-18-6-3-9-28-18)21(27)15-4-2-5-15/h7-8,10-11,15,18H,2-6,9,12-13H2,1H3
InChIKeyAFJXITUVGASEPZ-UHFFFAOYSA-N
XLogP2.89
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 51685233
2-chloro-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1466395
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
3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 51686396
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 1466402
3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 3216762
1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 7442680
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1459588
N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
CID 1459648
N-cyclopentyl-3,5-dimethoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 3216791
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 3216780

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide?
The IUPAC name of N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide (CID 3216808) is N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide?
The canonical SMILES for N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide is Cc1ccc2cc(CN(CC3CCCO3)C(=O)C3CCC3)c3nnnn3c2c1.
What is the InChIKey of N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide?
The InChIKey is AFJXITUVGASEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-7-8-16-11-17(20-22-23-24-26(20)19(16)10-14)12-25(13-18-6-3-9-28-18)21(27)15-4-2-5-15/h7-8,10-11,15,18H,2-6,9,12-13H2,1H3.
What are the key properties of N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide?
N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide is sourced from PubChem (CID 3216808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).