2-(4-methoxy-3-phenylquinolin-2-yl)sulfanylethanamine

C18H18N2OS — CID 71321960

IUPAC2-(4-methoxy-3-phenylquinolin-2-yl)sulfanylethanamine
SMILESCOc1c(-c2ccccc2)c(SCCN)nc2ccccc12
InChIInChI=1S/C18H18N2OS/c1-21-17-14-9-5-6-10-15(14)20-18(22-12-11-19)16(17)13-7-3-2-4-8-13/h2-10H,11-12,19H2,1H3
InChIKeyAKQZUVCCSLDRMA-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.96
Rot. Bonds5

About 2-(4-methoxy-3-phenylquinolin-2-yl)sulfanylethanamine

2-(4-methoxy-3-phenylquinolin-2-yl)sulfanylethanamine (PubChem CID 71321960) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(4-methoxy-3-phenylquinolin-2-yl)sulfanylethanamine.

Molecular Properties

Compound Name2-(4-methoxy-3-phenylquinolin-2-yl)sulfanylethanamine
PubChem CID71321960
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name2-(4-methoxy-3-phenylquinolin-2-yl)sulfanylethanamine
SMILESCOc1c(-c2ccccc2)c(SCCN)nc2ccccc12
InChIInChI=1S/C18H18N2OS/c1-21-17-14-9-5-6-10-15(14)20-18(22-12-11-19)16(17)13-7-3-2-4-8-13/h2-10H,11-12,19H2,1H3
InChIKeyAKQZUVCCSLDRMA-UHFFFAOYSA-N
XLogP3.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-phenyl-3-pyridin-4-ylquinoline
CID 139651635
3-bromo-4-methoxy-2-methylquinoline
CID 50915397
2-chloro-4-(2-methoxyethylsulfanyl)quinazoline
CID 62476840
1-(4-methoxyquinolin-2-yl)propane-1,3-diamine
CID 22640741
3-quinazolin-4-ylsulfanylpropan-1-amine
CID 60895823
3-(aminomethyl)-4-phenylquinolin-2-amine
CID 10285988
2-methoxy-1,4-dimethyl-3,5-diphenylbenzene
CID 173306181
1-bromo-2-methoxy-9-phenylacridine
CID 11439907
methyl 2-(2-naphthalen-2-yl-4-phenylquinolin-3-yl)sulfanylacetate
CID 73353813
3,4-dimethoxy-2-(trifluoromethyl)quinoline
CID 69305906
1,3-dimethoxy-4-phenylpyrido[4,3-b]quinoxaline
CID 11120684
methyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate
CID 73356894

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-phenylquinolin-2-yl)sulfanylethanamine?
The IUPAC name of 2-(4-methoxy-3-phenylquinolin-2-yl)sulfanylethanamine (CID 71321960) is 2-(4-methoxy-3-phenylquinolin-2-yl)sulfanylethanamine.
What is the SMILES notation for 2-(4-methoxy-3-phenylquinolin-2-yl)sulfanylethanamine?
The canonical SMILES for 2-(4-methoxy-3-phenylquinolin-2-yl)sulfanylethanamine is COc1c(-c2ccccc2)c(SCCN)nc2ccccc12.
What is the InChIKey of 2-(4-methoxy-3-phenylquinolin-2-yl)sulfanylethanamine?
The InChIKey is AKQZUVCCSLDRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-21-17-14-9-5-6-10-15(14)20-18(22-12-11-19)16(17)13-7-3-2-4-8-13/h2-10H,11-12,19H2,1H3.
What are the key properties of 2-(4-methoxy-3-phenylquinolin-2-yl)sulfanylethanamine?
2-(4-methoxy-3-phenylquinolin-2-yl)sulfanylethanamine has a molecular weight of 310.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-phenylquinolin-2-yl)sulfanylethanamine is sourced from PubChem (CID 71321960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).