N-[(3-chloro-2-pyridinyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

C24H26ClN3O — CID 175048489

About N-[(3-chloro-2-pyridinyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[(3-chloro-2-pyridinyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 175048489) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-[(3-chloro-2-pyridinyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 175048489
• Molecular Formula: C24H26ClN3O
• Molecular Weight: 407.95 g/mol
• Exact Mass: 407.18
• IUPAC Name: N-[(3-chloro-2-pyridinyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: COc1ccc([C@H](C)N(Cc2ncccc2Cl)C2CCCc3cccnc32)cc1
• InChI: InChI=1S/C24H26ClN3O/c1-17(18-10-12-20(29-2)13-11-18)28(16-22-21(25)8-5-14-26-22)23-9-3-6-19-7-4-15-27-24(19)23/h4-5,7-8,10-15,17,23H,3,6,9,16H2,1-2H3/t17-,23?/m0/s1
• InChIKey: RUWAWJNXNSWNDA-NVHKAFQKSA-N
• XLogP: 5.78
• TPSA: 38.25 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.95
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of N-[(3-chloro-2-pyridinyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 175048489) is N-[(3-chloro-2-pyridinyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for N-[(3-chloro-2-pyridinyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for N-[(3-chloro-2-pyridinyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is COc1ccc([C@H](C)N(Cc2ncccc2Cl)C2CCCc3cccnc32)cc1.

What is the InChIKey of N-[(3-chloro-2-pyridinyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is RUWAWJNXNSWNDA-NVHKAFQKSA-N. The full InChI is InChI=1S/C24H26ClN3O/c1-17(18-10-12-20(29-2)13-11-18)28(16-22-21(25)8-5-14-26-22)23-9-3-6-19-7-4-15-27-24(19)23/h4-5,7-8,10-15,17,23H,3,6,9,16H2,1-2H3/t17-,23?/m0/s1.

What are the key properties of N-[(3-chloro-2-pyridinyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?

N-[(3-chloro-2-pyridinyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 407.95 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chloro-2-pyridinyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 175048489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).