(4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione

C19H29N3S — CID 91973776

IUPAC(4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione
SMILESCC1CC(C)(C)N(C)c2ccc(C(=S)N3CCN(C)CC3)cc21
InChIInChI=1S/C19H29N3S/c1-14-13-19(2,3)21(5)17-7-6-15(12-16(14)17)18(23)22-10-8-20(4)9-11-22/h6-7,12,14H,8-11,13H2,1-5H3
InChIKeyALVKBFQJSMMOTI-UHFFFAOYSA-N
MW331.53 g/mol
LogP3.33
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione

(4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione (PubChem CID 91973776) has the molecular formula C19H29N3S and a molecular weight of 331.53 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione
PubChem CID91973776
Molecular FormulaC19H29N3S
Molecular Weight331.53 g/mol
Exact Mass331.21
IUPAC Name(4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione
SMILESCC1CC(C)(C)N(C)c2ccc(C(=S)N3CCN(C)CC3)cc21
InChIInChI=1S/C19H29N3S/c1-14-13-19(2,3)21(5)17-7-6-15(12-16(14)17)18(23)22-10-8-20(4)9-11-22/h6-7,12,14H,8-11,13H2,1-5H3
InChIKeyALVKBFQJSMMOTI-UHFFFAOYSA-N
XLogP3.33
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 53.33
H-Bond Donors ≤ 50
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 (4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione?
The IUPAC name of (4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione (CID 91973776) is (4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione is CC1CC(C)(C)N(C)c2ccc(C(=S)N3CCN(C)CC3)cc21.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione?
The InChIKey is ALVKBFQJSMMOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3S/c1-14-13-19(2,3)21(5)17-7-6-15(12-16(14)17)18(23)22-10-8-20(4)9-11-22/h6-7,12,14H,8-11,13H2,1-5H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione?
(4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione has a molecular weight of 331.53 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione is sourced from PubChem (CID 91973776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).