1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea

C19H24N4S — CID 100742318

IUPAC1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea
SMILESCc1cccc(NC(=S)NCCCN2CCCc3ccccc32)n1
InChIInChI=1S/C19H24N4S/c1-15-7-4-11-18(21-15)22-19(24)20-12-6-14-23-13-5-9-16-8-2-3-10-17(16)23/h2-4,7-8,10-11H,5-6,9,12-14H2,1H3,(H2,20,21,22,24)
InChIKeyXYKULRQGLPDWCR-UHFFFAOYSA-N
MW340.50 g/mol
LogP3.52
Rot. Bonds5

About 1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea

1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea (PubChem CID 100742318) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea
PubChem CID100742318
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea
SMILESCc1cccc(NC(=S)NCCCN2CCCc3ccccc32)n1
InChIInChI=1S/C19H24N4S/c1-15-7-4-11-18(21-15)22-19(24)20-12-6-14-23-13-5-9-16-8-2-3-10-17(16)23/h2-4,7-8,10-11H,5-6,9,12-14H2,1H3,(H2,20,21,22,24)
InChIKeyXYKULRQGLPDWCR-UHFFFAOYSA-N
XLogP3.52
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea
CID 100678157
ethyl 3-[3-(3,4-dihydro-2H-quinolin-1-yl)propylcarbamothioylamino]benzoate
CID 100742115
1-[3-(2,3-dihydroindol-1-yl)propyl]-3-phenylthiourea
CID 100678118
1-(1,3-benzodioxol-5-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]thiourea
CID 100741827
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(3,5-dimethylphenyl)urea
CID 23609343
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(4-methylsulfonylphenyl)urea
CID 72864977
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 46963655
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
1-[3-(3-methylphenyl)propyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100614312
1-(2,6-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2373826
(3R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118463
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2,3-dihydroindol-1-yl)propyl]thiourea
CID 100678642

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea?
The IUPAC name of 1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea (CID 100742318) is 1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea.
What is the SMILES notation for 1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea?
The canonical SMILES for 1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea is Cc1cccc(NC(=S)NCCCN2CCCc3ccccc32)n1.
What is the InChIKey of 1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea?
The InChIKey is XYKULRQGLPDWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S/c1-15-7-4-11-18(21-15)22-19(24)20-12-6-14-23-13-5-9-16-8-2-3-10-17(16)23/h2-4,7-8,10-11H,5-6,9,12-14H2,1H3,(H2,20,21,22,24).
What are the key properties of 1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea?
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea has a molecular weight of 340.50 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea is sourced from PubChem (CID 100742318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).