1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C19H21ClN4OS — CID 42479847

IUPAC1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESC=C(Cl)COc1nc2cc(SC)ccc2cc1CNCc1cnn(C)c1
InChIInChI=1S/C19H21ClN4OS/c1-13(20)12-25-19-16(10-21-8-14-9-22-24(2)11-14)6-15-4-5-17(26-3)7-18(15)23-19/h4-7,9,11,21H,1,8,10,12H2,2-3H3
InChIKeyZLLKBYVLKCUQDV-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.11
Rot. Bonds8

About 1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine

1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 42479847) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is 1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID42479847
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC Name1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESC=C(Cl)COc1nc2cc(SC)ccc2cc1CNCc1cnn(C)c1
InChIInChI=1S/C19H21ClN4OS/c1-13(20)12-25-19-16(10-21-8-14-9-22-24(2)11-14)6-15-4-5-17(26-3)7-18(15)23-19/h4-7,9,11,21H,1,8,10,12H2,2-3H3
InChIKeyZLLKBYVLKCUQDV-UHFFFAOYSA-N
XLogP4.11
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine 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

1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 26339550
1-[7-fluoro-2-(2-phenylsulfanylethoxy)quinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 26398887
N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine
CID 42380537
1-[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 42468577
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19292310
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 61349454
2-chloro-6-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112554197
N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106972704
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54979175
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126964493
2,5-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600263

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 42479847) is 1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine is C=C(Cl)COc1nc2cc(SC)ccc2cc1CNCc1cnn(C)c1.
What is the InChIKey of 1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is ZLLKBYVLKCUQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c1-13(20)12-25-19-16(10-21-8-14-9-22-24(2)11-14)6-15-4-5-17(26-3)7-18(15)23-19/h4-7,9,11,21H,1,8,10,12H2,2-3H3.
What are the key properties of 1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 388.92 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 42479847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).