3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea

C24H25ClN6O — CID 6498545

IUPAC3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
SMILESCc1ccc2c(c1)cc(CN(C(=O)Nc1ccccc1Cl)C1CCCCC1)c1nnnn12
InChIInChI=1S/C24H25ClN6O/c1-16-11-12-22-17(13-16)14-18(23-27-28-29-31(22)23)15-30(19-7-3-2-4-8-19)24(32)26-21-10-6-5-9-20(21)25/h5-6,9-14,19H,2-4,7-8,15H2,1H3,(H,26,32)
InChIKeyCZUFJOVICLRPJP-UHFFFAOYSA-N
MW448.96 g/mol
LogP5.61
Rot. Bonds4

About 3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea

3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea (PubChem CID 6498545) has the molecular formula C24H25ClN6O and a molecular weight of 448.96 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
PubChem CID6498545
Molecular FormulaC24H25ClN6O
Molecular Weight448.96 g/mol
Exact Mass448.18
IUPAC Name3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
SMILESCc1ccc2c(c1)cc(CN(C(=O)Nc1ccccc1Cl)C1CCCCC1)c1nnnn12
InChIInChI=1S/C24H25ClN6O/c1-16-11-12-22-17(13-16)14-18(23-27-28-29-31(22)23)15-30(19-7-3-2-4-8-19)24(32)26-21-10-6-5-9-20(21)25/h5-6,9-14,19H,2-4,7-8,15H2,1H3,(H,26,32)
InChIKeyCZUFJOVICLRPJP-UHFFFAOYSA-N
XLogP5.61
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.96
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea?
The IUPAC name of 3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea (CID 6498545) is 3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea.
What is the SMILES notation for 3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea?
The canonical SMILES for 3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea is Cc1ccc2c(c1)cc(CN(C(=O)Nc1ccccc1Cl)C1CCCCC1)c1nnnn12.
What is the InChIKey of 3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea?
The InChIKey is CZUFJOVICLRPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O/c1-16-11-12-22-17(13-16)14-18(23-27-28-29-31(22)23)15-30(19-7-3-2-4-8-19)24(32)26-21-10-6-5-9-20(21)25/h5-6,9-14,19H,2-4,7-8,15H2,1H3,(H,26,32).
What are the key properties of 3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea?
3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea has a molecular weight of 448.96 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea is sourced from PubChem (CID 6498545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).