N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide

C20H21N3O — CID 44596231

IUPACN-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide
SMILESCc1ccc(NC(=O)CCNc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C20H21N3O/c1-14-7-9-16(10-8-14)23-20(24)11-12-21-19-13-15(2)22-18-6-4-3-5-17(18)19/h3-10,13H,11-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyMCCNPFVSHNKHEB-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.29
Rot. Bonds5

About N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide

N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide (PubChem CID 44596231) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide
PubChem CID44596231
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide
SMILESCc1ccc(NC(=O)CCNc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C20H21N3O/c1-14-7-9-16(10-8-14)23-20(24)11-12-21-19-13-15(2)22-18-6-4-3-5-17(18)19/h3-10,13H,11-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyMCCNPFVSHNKHEB-UHFFFAOYSA-N
XLogP4.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide
CID 172561837
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide
CID 62833896
3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide
CID 109034353
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate
CID 60716333
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
CID 43146054
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide
CID 106239415

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide?
The IUPAC name of N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide (CID 44596231) is N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide.
What is the SMILES notation for N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide?
The canonical SMILES for N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide is Cc1ccc(NC(=O)CCNc2cc(C)nc3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide?
The InChIKey is MCCNPFVSHNKHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-7-9-16(10-8-14)23-20(24)11-12-21-19-13-15(2)22-18-6-4-3-5-17(18)19/h3-10,13H,11-12H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide?
N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide has a molecular weight of 319.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide is sourced from PubChem (CID 44596231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).