N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)methanamine

C23H22N2OS — CID 52941356

IUPACN-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)methanamine
SMILESCOc1ccc2cc(CNCc3ccc(C)cc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C23H22N2OS/c1-16-3-5-17(6-4-16)13-24-14-20-11-18-7-8-21(26-2)12-22(18)25-23(20)19-9-10-27-15-19/h3-12,15,24H,13-14H2,1-2H3
InChIKeyWCYMWGVDNSBWIF-UHFFFAOYSA-N
MW374.51 g/mol
LogP5.57
Rot. Bonds6

About N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)methanamine

N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)methanamine (PubChem CID 52941356) has the molecular formula C23H22N2OS and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)methanamine
PubChem CID52941356
Molecular FormulaC23H22N2OS
Molecular Weight374.51 g/mol
Exact Mass374.15
IUPAC NameN-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)methanamine
SMILESCOc1ccc2cc(CNCc3ccc(C)cc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C23H22N2OS/c1-16-3-5-17(6-4-16)13-24-14-20-11-18-7-8-21(26-2)12-22(18)25-23(20)19-9-10-27-15-19/h3-12,15,24H,13-14H2,1-2H3
InChIKeyWCYMWGVDNSBWIF-UHFFFAOYSA-N
XLogP5.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)methanamine (CID 52941356) is N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)methanamine is COc1ccc2cc(CNCc3ccc(C)cc3)c(-c3ccsc3)nc2c1.
What is the InChIKey of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is WCYMWGVDNSBWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2OS/c1-16-3-5-17(6-4-16)13-24-14-20-11-18-7-8-21(26-2)12-22(18)25-23(20)19-9-10-27-15-19/h3-12,15,24H,13-14H2,1-2H3.
What are the key properties of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)methanamine?
N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 374.51 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 52941356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).