1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea

C22H28N6OS — CID 7442680

IUPAC1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
SMILESCc1ccc2c(c1)cc(CN(C(=S)NC[C@H]1CCCO1)C1CCCC1)c1nnnn12
InChIInChI=1S/C22H28N6OS/c1-15-8-9-20-16(11-15)12-17(21-24-25-26-28(20)21)14-27(18-5-2-3-6-18)22(30)23-13-19-7-4-10-29-19/h8-9,11-12,18-19H,2-7,10,13-14H2,1H3,(H,23,30)/t19-/m1/s1
InChIKeyNWXKMTCWQIUVCH-LJQANCHMSA-N
MW424.57 g/mol
LogP3.38
Rot. Bonds5

About 1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea

1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea (PubChem CID 7442680) has the molecular formula C22H28N6OS and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
PubChem CID7442680
Molecular FormulaC22H28N6OS
Molecular Weight424.57 g/mol
Exact Mass424.20
IUPAC Name1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
SMILESCc1ccc2c(c1)cc(CN(C(=S)NC[C@H]1CCCO1)C1CCCC1)c1nnnn12
InChIInChI=1S/C22H28N6OS/c1-15-8-9-20-16(11-15)12-17(21-24-25-26-28(20)21)14-27(18-5-2-3-6-18)22(30)23-13-19-7-4-10-29-19/h8-9,11-12,18-19H,2-7,10,13-14H2,1H3,(H,23,30)/t19-/m1/s1
InChIKeyNWXKMTCWQIUVCH-LJQANCHMSA-N
XLogP3.38
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-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

3-butyl-1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 3221115
1-cyclohexyl-3-(furan-2-ylmethyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 6498522
1-cyclopentyl-3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 1445458
1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 6498524
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
1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
CID 1466341
3-benzyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 3216762
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 1466402
N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3216808
1-cyclopentyl-1-[(7-ethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-(2-methoxyethyl)thiourea
CID 3221128
3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
CID 6498545

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea?
The IUPAC name of 1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea (CID 7442680) is 1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea.
What is the SMILES notation for 1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea?
The canonical SMILES for 1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea is Cc1ccc2c(c1)cc(CN(C(=S)NC[C@H]1CCCO1)C1CCCC1)c1nnnn12.
What is the InChIKey of 1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea?
The InChIKey is NWXKMTCWQIUVCH-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N6OS/c1-15-8-9-20-16(11-15)12-17(21-24-25-26-28(20)21)14-27(18-5-2-3-6-18)22(30)23-13-19-7-4-10-29-19/h8-9,11-12,18-19H,2-7,10,13-14H2,1H3,(H,23,30)/t19-/m1/s1.
What are the key properties of 1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea?
1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea has a molecular weight of 424.57 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea is sourced from PubChem (CID 7442680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).