1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea

C23H23FN6S — CID 6498524

IUPAC1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
SMILESCc1ccc2c(c1)cc(CN(C(=S)Nc1ccc(F)cc1)C1CCCC1)c1nnnn12
InChIInChI=1S/C23H23FN6S/c1-15-6-11-21-16(12-15)13-17(22-26-27-28-30(21)22)14-29(20-4-2-3-5-20)23(31)25-19-9-7-18(24)8-10-19/h6-13,20H,2-5,14H2,1H3,(H,25,31)
InChIKeyZKEWMJZZGWIKBP-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.87
Rot. Bonds4

About 1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea

1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea (PubChem CID 6498524) has the molecular formula C23H23FN6S and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
PubChem CID6498524
Molecular FormulaC23H23FN6S
Molecular Weight434.54 g/mol
Exact Mass434.17
IUPAC Name1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
SMILESCc1ccc2c(c1)cc(CN(C(=S)Nc1ccc(F)cc1)C1CCCC1)c1nnnn12
InChIInChI=1S/C23H23FN6S/c1-15-6-11-21-16(12-15)13-17(22-26-27-28-30(21)22)14-29(20-4-2-3-5-20)23(31)25-19-9-7-18(24)8-10-19/h6-13,20H,2-5,14H2,1H3,(H,25,31)
InChIKeyZKEWMJZZGWIKBP-UHFFFAOYSA-N
XLogP4.87
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 1445458
3-butyl-1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 3221115
1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 7442680
1-cyclopropyl-1-[(7-ethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-(3-methylphenyl)thiourea
CID 1454917
1-cyclohexyl-3-(furan-2-ylmethyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 6498522
3-(4-chlorophenyl)-1-cyclopropyl-1-[(7-ethyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 1454926
1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
CID 1466341
1-(2-methoxyethyl)-3-(4-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 3221135
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
N-cyclohexyl-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide
CID 3866532
1-cyclopentyl-1-[(7-ethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-(2-methoxyethyl)thiourea
CID 3221128

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea?
The IUPAC name of 1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea (CID 6498524) is 1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea?
The canonical SMILES for 1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea is Cc1ccc2c(c1)cc(CN(C(=S)Nc1ccc(F)cc1)C1CCCC1)c1nnnn12.
What is the InChIKey of 1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea?
The InChIKey is ZKEWMJZZGWIKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6S/c1-15-6-11-21-16(12-15)13-17(22-26-27-28-30(21)22)14-29(20-4-2-3-5-20)23(31)25-19-9-7-18(24)8-10-19/h6-13,20H,2-5,14H2,1H3,(H,25,31).
What are the key properties of 1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea?
1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea has a molecular weight of 434.54 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-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea is sourced from PubChem (CID 6498524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).