1-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-3-propan-2-ylthiourea

C18H24N4S — CID 3669290

IUPAC1-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-3-propan-2-ylthiourea
SMILESCc1cc(N2CCCC2)nc2ccc(NC(=S)NC(C)C)cc12
InChIInChI=1S/C18H24N4S/c1-12(2)19-18(23)20-14-6-7-16-15(11-14)13(3)10-17(21-16)22-8-4-5-9-22/h6-7,10-12H,4-5,8-9H2,1-3H3,(H2,19,20,23)
InChIKeyLZLWVJTYIZYIIG-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.84
Rot. Bonds3

About 1-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-3-propan-2-ylthiourea

1-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-3-propan-2-ylthiourea (PubChem CID 3669290) has the molecular formula C18H24N4S and a molecular weight of 328.49 g/mol. Its IUPAC name is 1-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-3-propan-2-ylthiourea
PubChem CID3669290
Molecular FormulaC18H24N4S
Molecular Weight328.49 g/mol
Exact Mass328.17
IUPAC Name1-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-3-propan-2-ylthiourea
SMILESCc1cc(N2CCCC2)nc2ccc(NC(=S)NC(C)C)cc12
InChIInChI=1S/C18H24N4S/c1-12(2)19-18(23)20-14-6-7-16-15(11-14)13(3)10-17(21-16)22-8-4-5-9-22/h6-7,10-12H,4-5,8-9H2,1-3H3,(H2,19,20,23)
InChIKeyLZLWVJTYIZYIIG-UHFFFAOYSA-N
XLogP3.84
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-3-propan-2-ylthiourea?
The IUPAC name of 1-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-3-propan-2-ylthiourea (CID 3669290) is 1-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-3-propan-2-ylthiourea is Cc1cc(N2CCCC2)nc2ccc(NC(=S)NC(C)C)cc12.
What is the InChIKey of 1-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-3-propan-2-ylthiourea?
The InChIKey is LZLWVJTYIZYIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S/c1-12(2)19-18(23)20-14-6-7-16-15(11-14)13(3)10-17(21-16)22-8-4-5-9-22/h6-7,10-12H,4-5,8-9H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-3-propan-2-ylthiourea?
1-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-3-propan-2-ylthiourea has a molecular weight of 328.49 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-3-propan-2-ylthiourea is sourced from PubChem (CID 3669290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).