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

C24H26N6O — CID 1466341

IUPAC1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
SMILESCc1ccc2c(c1)cc(CN(C(=O)Nc1ccccc1C)C1CCCC1)c1nnnn12
InChIInChI=1S/C24H26N6O/c1-16-11-12-22-18(13-16)14-19(23-26-27-28-30(22)23)15-29(20-8-4-5-9-20)24(31)25-21-10-6-3-7-17(21)2/h3,6-7,10-14,20H,4-5,8-9,15H2,1-2H3,(H,25,31)
InChIKeyRFDOUOKHYXWWRY-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.87
Rot. Bonds4

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

1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea (PubChem CID 1466341) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
PubChem CID1466341
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
SMILESCc1ccc2c(c1)cc(CN(C(=O)Nc1ccccc1C)C1CCCC1)c1nnnn12
InChIInChI=1S/C24H26N6O/c1-16-11-12-22-18(13-16)14-19(23-26-27-28-30(22)23)15-29(20-8-4-5-9-20)24(31)25-21-10-6-3-7-17(21)2/h3,6-7,10-14,20H,4-5,8-9,15H2,1-2H3,(H,25,31)
InChIKeyRFDOUOKHYXWWRY-UHFFFAOYSA-N
XLogP4.87
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea (CID 1466341) is 1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea is Cc1ccc2c(c1)cc(CN(C(=O)Nc1ccccc1C)C1CCCC1)c1nnnn12.
What is the InChIKey of 1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea?
The InChIKey is RFDOUOKHYXWWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-16-11-12-22-18(13-16)14-19(23-26-27-28-30(22)23)15-29(20-8-4-5-9-20)24(31)25-21-10-6-3-7-17(21)2/h3,6-7,10-14,20H,4-5,8-9,15H2,1-2H3,(H,25,31).
What are the key properties of 1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea?
1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea has a molecular weight of 414.51 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea is sourced from PubChem (CID 1466341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).