N-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide

C24H28N4O — CID 118614406

IUPACN-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide
SMILESCc1cccc(NC(=O)CCN2CCN(Cc3ccc4ccccc4n3)CC2)c1
InChIInChI=1S/C24H28N4O/c1-19-5-4-7-21(17-19)26-24(29)11-12-27-13-15-28(16-14-27)18-22-10-9-20-6-2-3-8-23(20)25-22/h2-10,17H,11-16,18H2,1H3,(H,26,29)
InChIKeyDLDMBTBNHORMJM-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.69
Rot. Bonds6

About N-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide

N-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 118614406) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide
PubChem CID118614406
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide
SMILESCc1cccc(NC(=O)CCN2CCN(Cc3ccc4ccccc4n3)CC2)c1
InChIInChI=1S/C24H28N4O/c1-19-5-4-7-21(17-19)26-24(29)11-12-27-13-15-28(16-14-27)18-22-10-9-20-6-2-3-8-23(20)25-22/h2-10,17H,11-16,18H2,1H3,(H,26,29)
InChIKeyDLDMBTBNHORMJM-UHFFFAOYSA-N
XLogP3.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 771783
3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
CID 42519111
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 42858886
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride
CID 52998055
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
CID 126478468
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-methylphenyl)propanamide
CID 771759
N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 739962
N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029431
[1-(3-methylanilino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 46811721
N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47377806
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide (CID 118614406) is N-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide is Cc1cccc(NC(=O)CCN2CCN(Cc3ccc4ccccc4n3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is DLDMBTBNHORMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-19-5-4-7-21(17-19)26-24(29)11-12-27-13-15-28(16-14-27)18-22-10-9-20-6-2-3-8-23(20)25-22/h2-10,17H,11-16,18H2,1H3,(H,26,29).
What are the key properties of N-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide?
N-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 388.52 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 118614406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).