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

C28H26ClN3OS — CID 162655577

IUPACN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCOc1nc2ccc(C)cc2cc1CN(Cc1cccs1)Cc1cc2cc(C)ccc2nc1Cl
InChIInChI=1S/C28H26ClN3OS/c1-18-6-8-25-20(11-18)13-22(27(29)30-25)15-32(17-24-5-4-10-34-24)16-23-14-21-12-19(2)7-9-26(21)31-28(23)33-3/h4-14H,15-17H2,1-3H3
InChIKeyRNXSBWFKHPSHQN-UHFFFAOYSA-N
MW488.06 g/mol
LogP7.33
Rot. Bonds7

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

N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 162655577) has the molecular formula C28H26ClN3OS and a molecular weight of 488.06 g/mol. Its IUPAC name is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID162655577
Molecular FormulaC28H26ClN3OS
Molecular Weight488.06 g/mol
Exact Mass487.15
IUPAC NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCOc1nc2ccc(C)cc2cc1CN(Cc1cccs1)Cc1cc2cc(C)ccc2nc1Cl
InChIInChI=1S/C28H26ClN3OS/c1-18-6-8-25-20(11-18)13-22(27(29)30-25)15-32(17-24-5-4-10-34-24)16-23-14-21-12-19(2)7-9-26(21)31-28(23)33-3/h4-14H,15-17H2,1-3H3
InChIKeyRNXSBWFKHPSHQN-UHFFFAOYSA-N
XLogP7.33
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.06
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 162649573
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459828
N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 162663446
3-(bromomethyl)-2-methoxy-6-methylquinoline
CID 123300243
N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 162647683
1-[(2-chloro-6-methylquinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]-3,3-dimethylurea
CID 1459843
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1459808
1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 26606766
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide
CID 1460017
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 1459845
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]quinolin-2-amine
CID 62208946
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459867

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine (CID 162655577) is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine is COc1nc2ccc(C)cc2cc1CN(Cc1cccs1)Cc1cc2cc(C)ccc2nc1Cl.
What is the InChIKey of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is RNXSBWFKHPSHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3OS/c1-18-6-8-25-20(11-18)13-22(27(29)30-25)15-32(17-24-5-4-10-34-24)16-23-14-21-12-19(2)7-9-26(21)31-28(23)33-3/h4-14H,15-17H2,1-3H3.
What are the key properties of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 488.06 g/mol, XLogP of 7.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 162655577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).