3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea

C24H26N6O2 — CID 3216762

IUPAC3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea
SMILESCc1ccc2c(c1)cc(CN(CC1CCCO1)C(=O)NCc1ccccc1)c1nnnn12
InChIInChI=1S/C24H26N6O2/c1-17-9-10-22-19(12-17)13-20(23-26-27-28-30(22)23)15-29(16-21-8-5-11-32-21)24(31)25-14-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,21H,5,8,11,14-16H2,1H3,(H,25,31)
InChIKeyZLMFZLBXMZNJCW-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.48
Rot. Bonds6

About 3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea

3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea (PubChem CID 3216762) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea
PubChem CID3216762
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea
SMILESCc1ccc2c(c1)cc(CN(CC1CCCO1)C(=O)NCc1ccccc1)c1nnnn12
InChIInChI=1S/C24H26N6O2/c1-17-9-10-22-19(12-17)13-20(23-26-27-28-30(22)23)15-29(16-21-8-5-11-32-21)24(31)25-14-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,21H,5,8,11,14-16H2,1H3,(H,25,31)
InChIKeyZLMFZLBXMZNJCW-UHFFFAOYSA-N
XLogP3.48
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 1466402
3-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 51686396
2-chloro-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1466395
3-(4-fluorophenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 51685233
N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3216808
1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 7442680
3-(3-methoxyphenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 1459509
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 3216740
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-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 1466234
3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 1466242
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 3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea (CID 3216762) is 3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea is Cc1ccc2c(c1)cc(CN(CC1CCCO1)C(=O)NCc1ccccc1)c1nnnn12.
What is the InChIKey of 3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea?
The InChIKey is ZLMFZLBXMZNJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-17-9-10-22-19(12-17)13-20(23-26-27-28-30(22)23)15-29(16-21-8-5-11-32-21)24(31)25-14-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,21H,5,8,11,14-16H2,1H3,(H,25,31).
What are the key properties of 3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea?
3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea has a molecular weight of 430.51 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 3216762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).