N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride

C21H23ClN2O — CID 21283571

IUPACN,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride
SMILESCC(Cc1cc(-c2ccccc2)nc2ccccc12)C(=O)N(C)C.Cl
InChIInChI=1S/C21H22N2O.ClH/c1-15(21(24)23(2)3)13-17-14-20(16-9-5-4-6-10-16)22-19-12-8-7-11-18(17)19;/h4-12,14-15H,13H2,1-3H3;1H
InChIKeyUUOVEUNMKSHEMS-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.59
Rot. Bonds4

About N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride

N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride (PubChem CID 21283571) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride
PubChem CID21283571
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC NameN,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride
SMILESCC(Cc1cc(-c2ccccc2)nc2ccccc12)C(=O)N(C)C.Cl
InChIInChI=1S/C21H22N2O.ClH/c1-15(21(24)23(2)3)13-17-14-20(16-9-5-4-6-10-16)22-19-12-8-7-11-18(17)19;/h4-12,14-15H,13H2,1-3H3;1H
InChIKeyUUOVEUNMKSHEMS-UHFFFAOYSA-N
XLogP4.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride?
The IUPAC name of N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride (CID 21283571) is N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride?
The canonical SMILES for N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride is CC(Cc1cc(-c2ccccc2)nc2ccccc12)C(=O)N(C)C.Cl.
What is the InChIKey of N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride?
The InChIKey is UUOVEUNMKSHEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O.ClH/c1-15(21(24)23(2)3)13-17-14-20(16-9-5-4-6-10-16)22-19-12-8-7-11-18(17)19;/h4-12,14-15H,13H2,1-3H3;1H.
What are the key properties of N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride?
N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 21283571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).