2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide

C21H23N3O — CID 47027514

IUPAC2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide
SMILESCc1ccccc1C(C)NC(C)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C21H23N3O/c1-14-8-4-5-9-17(14)15(2)23-16(3)21(25)24-20-12-6-11-19-18(20)10-7-13-22-19/h4-13,15-16,23H,1-3H3,(H,24,25)
InChIKeyODPRBYFTWRVFIT-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.22
Rot. Bonds5

About 2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide

2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide (PubChem CID 47027514) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide
PubChem CID47027514
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide
SMILESCc1ccccc1C(C)NC(C)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C21H23N3O/c1-14-8-4-5-9-17(14)15(2)23-16(3)21(25)24-20-12-6-11-19-18(20)10-7-13-22-19/h4-13,15-16,23H,1-3H3,(H,24,25)
InChIKeyODPRBYFTWRVFIT-UHFFFAOYSA-N
XLogP4.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide?
The IUPAC name of 2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide (CID 47027514) is 2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide.
What is the SMILES notation for 2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide?
The canonical SMILES for 2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide is Cc1ccccc1C(C)NC(C)C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide?
The InChIKey is ODPRBYFTWRVFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-8-4-5-9-17(14)15(2)23-16(3)21(25)24-20-12-6-11-19-18(20)10-7-13-22-19/h4-13,15-16,23H,1-3H3,(H,24,25).
What are the key properties of 2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide?
2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide has a molecular weight of 333.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide is sourced from PubChem (CID 47027514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).