N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide

C15H19N3O — CID 55175937

IUPACN,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide
SMILESCc1cc2ccccc2nc1NCCC(=O)N(C)C
InChIInChI=1S/C15H19N3O/c1-11-10-12-6-4-5-7-13(12)17-15(11)16-9-8-14(19)18(2)3/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyCIHKPHQFVIGXAQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.43
Rot. Bonds4

About N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide

N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide (PubChem CID 55175937) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide
PubChem CID55175937
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide
SMILESCc1cc2ccccc2nc1NCCC(=O)N(C)C
InChIInChI=1S/C15H19N3O/c1-11-10-12-6-4-5-7-13(12)17-15(11)16-9-8-14(19)18(2)3/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyCIHKPHQFVIGXAQ-UHFFFAOYSA-N
XLogP2.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide (CID 55175937) is N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide is Cc1cc2ccccc2nc1NCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide?
The InChIKey is CIHKPHQFVIGXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-10-12-6-4-5-7-13(12)17-15(11)16-9-8-14(19)18(2)3/h4-7,10H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide?
N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide has a molecular weight of 257.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3-methylquinolin-2-yl)amino]propanamide is sourced from PubChem (CID 55175937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).