(2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride

C17H24ClN3OS — CID 16682433

IUPAC(2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride
SMILESCl.[H]/N=C(\N)Sc1c(CCC)c(C)nc2ccc(OCCC)cc12
InChIInChI=1S/C17H23N3OS.ClH/c1-4-6-13-11(3)20-15-8-7-12(21-9-5-2)10-14(15)16(13)22-17(18)19;/h7-8,10H,4-6,9H2,1-3H3,(H3,18,19);1H
InChIKeyMTXAVNNDHZEKBD-UHFFFAOYSA-N
MW353.92 g/mol
LogP4.69
Rot. Bonds6

About (2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride

(2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride (PubChem CID 16682433) has the molecular formula C17H24ClN3OS and a molecular weight of 353.92 g/mol. Its IUPAC name is (2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride.

Molecular Properties

Compound Name(2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride
PubChem CID16682433
Molecular FormulaC17H24ClN3OS
Molecular Weight353.92 g/mol
Exact Mass353.13
IUPAC Name(2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride
SMILESCl.[H]/N=C(\N)Sc1c(CCC)c(C)nc2ccc(OCCC)cc12
InChIInChI=1S/C17H23N3OS.ClH/c1-4-6-13-11(3)20-15-8-7-12(21-9-5-2)10-14(15)16(13)22-17(18)19;/h7-8,10H,4-6,9H2,1-3H3,(H3,18,19);1H
InChIKeyMTXAVNNDHZEKBD-UHFFFAOYSA-N
XLogP4.69
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride 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-ethyl-2-methyl-6-propoxyquinolin-4-amine
CID 62329382
3-(6-methoxy-2-methyl-3-propylquinolin-4-yl)sulfanylpropanoic acid
CID 706288
6-butoxy-4-methylquinoline-2-carbothioamide
CID 82574245
2-methyl-6-propoxyquinolin-4-amine
CID 62329208
N-ethyl-2-methyl-6-propoxyquinolin-4-amine
CID 55060024
3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride
CID 57386077
(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylmethanediamine
CID 3142221
N-ethyl-2-propan-2-yl-6-propoxyquinolin-4-amine
CID 63483124
3-(6-bromo-2-methyl-3-propylquinolin-4-yl)sulfanylpropanoic acid
CID 1349287
6-[4-(4-amino-2-methylquinolin-6-yl)oxybutoxy]-2-methylquinolin-4-amine;dihydrochloride
CID 163277411
(4-pentoxyphenyl)methyl carbamimidothioate;hydrochloride
CID 44658057
3-[(E)-3-chlorobut-2-enyl]-6-ethoxy-2-methylquinoline-4-thiolate
CID 7013696

Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride?
The IUPAC name of (2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride (CID 16682433) is (2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride.
What is the SMILES notation for (2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride?
The canonical SMILES for (2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride is Cl.[H]/N=C(\N)Sc1c(CCC)c(C)nc2ccc(OCCC)cc12.
What is the InChIKey of (2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride?
The InChIKey is MTXAVNNDHZEKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS.ClH/c1-4-6-13-11(3)20-15-8-7-12(21-9-5-2)10-14(15)16(13)22-17(18)19;/h7-8,10H,4-6,9H2,1-3H3,(H3,18,19);1H.
What are the key properties of (2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride?
(2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride has a molecular weight of 353.92 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-propoxy-3-propylquinolin-4-yl) carbamimidothioate;hydrochloride is sourced from PubChem (CID 16682433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).