N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide

C21H22N2O2 — CID 53113425

IUPACN-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide
SMILESCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)C(C)C)cc12
InChIInChI=1S/C21H22N2O2/c1-13(2)21(24)22-16-9-10-18-17(11-16)20(25-4)12-19(23-18)15-7-5-14(3)6-8-15/h5-13H,1-4H3,(H,22,24)
InChIKeyUHADUYUHZRYPSC-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.81
Rot. Bonds4

About N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide

N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide (PubChem CID 53113425) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide
PubChem CID53113425
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide
SMILESCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)C(C)C)cc12
InChIInChI=1S/C21H22N2O2/c1-13(2)21(24)22-16-9-10-18-17(11-16)20(25-4)12-19(23-18)15-7-5-14(3)6-8-15/h5-13H,1-4H3,(H,22,24)
InChIKeyUHADUYUHZRYPSC-UHFFFAOYSA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea
CID 50828072
1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827540
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea
CID 50827617
N-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]-2-methoxyacetamide
CID 53001321
1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827606
N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 45499103
3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide
CID 53113478
4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid
CID 10806772
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)quinoline-6-carboxamide
CID 46319106
4-methoxy-2-(4-methylphenyl)-N-propylquinoline-6-carboxamide
CID 46319104

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide?
The IUPAC name of N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide (CID 53113425) is N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide is COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)C(C)C)cc12.
What is the InChIKey of N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide?
The InChIKey is UHADUYUHZRYPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13(2)21(24)22-16-9-10-18-17(11-16)20(25-4)12-19(23-18)15-7-5-14(3)6-8-15/h5-13H,1-4H3,(H,22,24).
What are the key properties of N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide?
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide has a molecular weight of 334.42 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide is sourced from PubChem (CID 53113425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).