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

C23H20N6OS — CID 1466444

IUPAC1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea
SMILESCc1ccc2c(c1)cc(CN(Cc1cccs1)C(=O)Nc1ccccc1)c1nnnn12
InChIInChI=1S/C23H20N6OS/c1-16-9-10-21-17(12-16)13-18(22-25-26-27-29(21)22)14-28(15-20-8-5-11-31-20)23(30)24-19-6-3-2-4-7-19/h2-13H,14-15H2,1H3,(H,24,30)
InChIKeyGZIAOBSOPONCEC-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.88
Rot. Bonds5

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

1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 1466444) has the molecular formula C23H20N6OS and a molecular weight of 428.52 g/mol. Its IUPAC name is 1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea
PubChem CID1466444
Molecular FormulaC23H20N6OS
Molecular Weight428.52 g/mol
Exact Mass428.14
IUPAC Name1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea
SMILESCc1ccc2c(c1)cc(CN(Cc1cccs1)C(=O)Nc1ccccc1)c1nnnn12
InChIInChI=1S/C23H20N6OS/c1-16-9-10-21-17(12-16)13-18(22-25-26-27-29(21)22)14-28(15-20-8-5-11-31-20)23(30)24-19-6-3-2-4-7-19/h2-13H,14-15H2,1H3,(H,24,30)
InChIKeyGZIAOBSOPONCEC-UHFFFAOYSA-N
XLogP4.88
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.88
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-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 645364
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)morpholine-4-carboxamide
CID 3216778
dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium
CID 7412219
3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1459393
2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 1459552
N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466370
N-(furan-2-ylmethyl)-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466456
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459597
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide
CID 1466271
1-cyclopentyl-3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 1445458
3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
CID 6498545
3-(4-fluorophenyl)-1-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 51685233

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea (CID 1466444) is 1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea is Cc1ccc2c(c1)cc(CN(Cc1cccs1)C(=O)Nc1ccccc1)c1nnnn12.
What is the InChIKey of 1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is GZIAOBSOPONCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6OS/c1-16-9-10-21-17(12-16)13-18(22-25-26-27-29(21)22)14-28(15-20-8-5-11-31-20)23(30)24-19-6-3-2-4-7-19/h2-13H,14-15H2,1H3,(H,24,30).
What are the key properties of 1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea?
1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 428.52 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 1466444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).