N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine

C17H18N2OS — CID 162663446

IUPACN-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCOc1nc2ccc(C)cc2cc1CNCc1cccs1
InChIInChI=1S/C17H18N2OS/c1-12-5-6-16-13(8-12)9-14(17(19-16)20-2)10-18-11-15-4-3-7-21-15/h3-9,18H,10-11H2,1-2H3
InChIKeyKKRWJQIJAYXDHE-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.90
Rot. Bonds5

About N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 162663446) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID162663446
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCOc1nc2ccc(C)cc2cc1CNCc1cccs1
InChIInChI=1S/C17H18N2OS/c1-12-5-6-16-13(8-12)9-14(17(19-16)20-2)10-18-11-15-4-3-7-21-15/h3-9,18H,10-11H2,1-2H3
InChIKeyKKRWJQIJAYXDHE-UHFFFAOYSA-N
XLogP3.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 162647683
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 162655577
3-(bromomethyl)-2-methoxy-6-methylquinoline
CID 123300243
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 162649573
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 53274257
7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 860989
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459828
1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 105378240
2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 62538017
2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 60932472
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43769303
1-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 78928667

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine (CID 162663446) is N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine is COc1nc2ccc(C)cc2cc1CNCc1cccs1.
What is the InChIKey of N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is KKRWJQIJAYXDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12-5-6-16-13(8-12)9-14(17(19-16)20-2)10-18-11-15-4-3-7-21-15/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 298.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 162663446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).