8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide

C24H28N4O — CID 50845346

IUPAC8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide
SMILESCc1cccc2c(N3CCN(C)CC3)cc(C(=O)NC(C)c3ccccc3)nc12
InChIInChI=1S/C24H28N4O/c1-17-8-7-11-20-22(28-14-12-27(3)13-15-28)16-21(26-23(17)20)24(29)25-18(2)19-9-5-4-6-10-19/h4-11,16,18H,12-15H2,1-3H3,(H,25,29)
InChIKeyNHRGQYBEYWWFLU-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.79
Rot. Bonds4

About 8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide

8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide (PubChem CID 50845346) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide
PubChem CID50845346
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide
SMILESCc1cccc2c(N3CCN(C)CC3)cc(C(=O)NC(C)c3ccccc3)nc12
InChIInChI=1S/C24H28N4O/c1-17-8-7-11-20-22(28-14-12-27(3)13-15-28)16-21(26-23(17)20)24(29)25-18(2)19-9-5-4-6-10-19/h4-11,16,18H,12-15H2,1-3H3,(H,25,29)
InChIKeyNHRGQYBEYWWFLU-UHFFFAOYSA-N
XLogP3.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369244
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109367441
4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109084145
N,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 53016678
ethyl 4-[2-methyl-6-(1-phenylethylcarbamoyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109369256
2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 42671005
N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 139507620
1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 54311318
6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369260
2-methyl-4-(4-methylpiperazin-1-yl)quinolin-8-ol;hydrochloride
CID 19603387
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225708

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide?
The IUPAC name of 8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide (CID 50845346) is 8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide.
What is the SMILES notation for 8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide?
The canonical SMILES for 8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide is Cc1cccc2c(N3CCN(C)CC3)cc(C(=O)NC(C)c3ccccc3)nc12.
What is the InChIKey of 8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide?
The InChIKey is NHRGQYBEYWWFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17-8-7-11-20-22(28-14-12-27(3)13-15-28)16-21(26-23(17)20)24(29)25-18(2)19-9-5-4-6-10-19/h4-11,16,18H,12-15H2,1-3H3,(H,25,29).
What are the key properties of 8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide?
8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide is sourced from PubChem (CID 50845346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).