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

C23H24N4S — CID 133149888

IUPAC1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-3-(1-phenylethyl)thiourea
SMILESCC(NC(=S)Nc1ccc(N2CCCc3ccccc32)nc1)c1ccccc1
InChIInChI=1S/C23H24N4S/c1-17(18-8-3-2-4-9-18)25-23(28)26-20-13-14-22(24-16-20)27-15-7-11-19-10-5-6-12-21(19)27/h2-6,8-10,12-14,16-17H,7,11,15H2,1H3,(H2,25,26,28)
InChIKeyFTWLAIJMFQISPC-UHFFFAOYSA-N
MW388.54 g/mol
LogP5.21
Rot. Bonds4

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

1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-3-(1-phenylethyl)thiourea (PubChem CID 133149888) has the molecular formula C23H24N4S and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-3-(1-phenylethyl)thiourea.

Molecular Properties

Compound Name1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-3-(1-phenylethyl)thiourea
PubChem CID133149888
Molecular FormulaC23H24N4S
Molecular Weight388.54 g/mol
Exact Mass388.17
IUPAC Name1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-3-(1-phenylethyl)thiourea
SMILESCC(NC(=S)Nc1ccc(N2CCCc3ccccc32)nc1)c1ccccc1
InChIInChI=1S/C23H24N4S/c1-17(18-8-3-2-4-9-18)25-23(28)26-20-13-14-22(24-16-20)27-15-7-11-19-10-5-6-12-21(19)27/h2-6,8-10,12-14,16-17H,7,11,15H2,1H3,(H2,25,26,28)
InChIKeyFTWLAIJMFQISPC-UHFFFAOYSA-N
XLogP5.21
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)thiourea
CID 133149882
1-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]-3-[(1R)-1-phenylethyl]thiourea
CID 125045221
[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]hydrazine
CID 82055128
1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea
CID 113016721
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113016676
1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
CID 27527330
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 113016670
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide
CID 113016723
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
6-(3,4-dihydro-2H-quinolin-1-yl)-N-methylpyridine-3-carboxamide
CID 84570471
(R)-[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]-phenylmethanamine
CID 124502163
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109162480

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-3-(1-phenylethyl)thiourea?
The IUPAC name of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-3-(1-phenylethyl)thiourea (CID 133149888) is 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-3-(1-phenylethyl)thiourea.
What is the SMILES notation for 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-3-(1-phenylethyl)thiourea?
The canonical SMILES for 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-3-(1-phenylethyl)thiourea is CC(NC(=S)Nc1ccc(N2CCCc3ccccc32)nc1)c1ccccc1.
What is the InChIKey of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-3-(1-phenylethyl)thiourea?
The InChIKey is FTWLAIJMFQISPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4S/c1-17(18-8-3-2-4-9-18)25-23(28)26-20-13-14-22(24-16-20)27-15-7-11-19-10-5-6-12-21(19)27/h2-6,8-10,12-14,16-17H,7,11,15H2,1H3,(H2,25,26,28).
What are the key properties of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-3-(1-phenylethyl)thiourea?
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-3-(1-phenylethyl)thiourea has a molecular weight of 388.54 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-3-(1-phenylethyl)thiourea is sourced from PubChem (CID 133149888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).