1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine

C22H20N2OS — CID 91596572

IUPAC1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine
SMILESCOc1ccc2cc(C(N)Cc3ccccc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C22H20N2OS/c1-25-18-8-7-16-12-19(20(23)11-15-5-3-2-4-6-15)22(24-21(16)13-18)17-9-10-26-14-17/h2-10,12-14,20H,11,23H2,1H3
InChIKeyULVPTFIGGYIRJQ-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.21
Rot. Bonds5

About 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine

1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine (PubChem CID 91596572) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine
PubChem CID91596572
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine
SMILESCOc1ccc2cc(C(N)Cc3ccccc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C22H20N2OS/c1-25-18-8-7-16-12-19(20(23)11-15-5-3-2-4-6-15)22(24-21(16)13-18)17-9-10-26-14-17/h2-10,12-14,20H,11,23H2,1H3
InChIKeyULVPTFIGGYIRJQ-UHFFFAOYSA-N
XLogP5.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine
CID 146479702
1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine
CID 79511944
7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine
CID 59804087
N-[2-(4-chlorophenyl)ethyl]-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanesulfonamide
CID 24969871
N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 42167773
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 29085678
1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 56856883
2,3-di(thiophen-3-yl)benzo[g]quinoxaline
CID 10291206
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 61077725
2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine
CID 26347940
2-methoxy-7-[(2R)-1-phenylpropan-2-yl]oxyphenazine
CID 155707776
2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine
CID 61373627

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine?
The IUPAC name of 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine (CID 91596572) is 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine?
The canonical SMILES for 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine is COc1ccc2cc(C(N)Cc3ccccc3)c(-c3ccsc3)nc2c1.
What is the InChIKey of 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine?
The InChIKey is ULVPTFIGGYIRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-25-18-8-7-16-12-19(20(23)11-15-5-3-2-4-6-15)22(24-21(16)13-18)17-9-10-26-14-17/h2-10,12-14,20H,11,23H2,1H3.
What are the key properties of 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine?
1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine has a molecular weight of 360.48 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-2-phenylethanamine is sourced from PubChem (CID 91596572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).