1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine

C19H22N2OS2 — CID 56856636

IUPAC1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1cc2ccc(SC)cc2nc1-c1cccs1
InChIInChI=1S/C19H22N2OS2/c1-13(12-22-2)20-11-15-9-14-6-7-16(23-3)10-17(14)21-19(15)18-5-4-8-24-18/h4-10,13,20H,11-12H2,1-3H3
InChIKeyCTXUWZABVPRGQI-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.81
Rot. Bonds7

About 1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine

1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine (PubChem CID 56856636) has the molecular formula C19H22N2OS2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine
PubChem CID56856636
Molecular FormulaC19H22N2OS2
Molecular Weight358.53 g/mol
Exact Mass358.12
IUPAC Name1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1cc2ccc(SC)cc2nc1-c1cccs1
InChIInChI=1S/C19H22N2OS2/c1-13(12-22-2)20-11-15-9-14-6-7-16(23-3)10-17(14)21-19(15)18-5-4-8-24-18/h4-10,13,20H,11-12H2,1-3H3
InChIKeyCTXUWZABVPRGQI-UHFFFAOYSA-N
XLogP4.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine with MolForge

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Related Compounds

1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine
CID 42428742
(2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine
CID 125179839
N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine
CID 118755608
2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide
CID 26356379
(2S)-1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 781285
1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 3126332
(2R)-1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 781284
(1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine
CID 26358983
1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine
CID 115765543
N-[[2-(2-methylpropoxy)-7-methylsulfanylquinolin-3-yl]methyl]-1-pyridin-4-ylmethanamine
CID 42380537
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
1-methoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 81399226

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine (CID 56856636) is 1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine is COCC(C)NCc1cc2ccc(SC)cc2nc1-c1cccs1.
What is the InChIKey of 1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine?
The InChIKey is CTXUWZABVPRGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS2/c1-13(12-22-2)20-11-15-9-14-6-7-16(23-3)10-17(14)21-19(15)18-5-4-8-24-18/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of 1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine?
1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine has a molecular weight of 358.53 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 56856636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).