4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride

C18H25ClN4O — CID 45370344

IUPAC4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride
SMILESCc1cc(N2CCN(C(=O)NC(C)C)CC2)nc2ccccc12.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-13(2)19-18(23)22-10-8-21(9-11-22)17-12-14(3)15-6-4-5-7-16(15)20-17;/h4-7,12-13H,8-11H2,1-3H3,(H,19,23);1H
InChIKeyMTUSCMREUVVOEU-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.21
Rot. Bonds2

About 4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride

4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride (PubChem CID 45370344) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride
PubChem CID45370344
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride
SMILESCc1cc(N2CCN(C(=O)NC(C)C)CC2)nc2ccccc12.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-13(2)19-18(23)22-10-8-21(9-11-22)17-12-14(3)15-6-4-5-7-16(15)20-17;/h4-7,12-13H,8-11H2,1-3H3,(H,19,23);1H
InChIKeyMTUSCMREUVVOEU-UHFFFAOYSA-N
XLogP3.21
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765024
2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxobutan-2-yl]isoindole-1,3-dione
CID 108765060
(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765029
(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765021
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 60526988
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 108765041
2-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione
CID 108765059
2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione
CID 108742584
N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide
CID 51323012
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide
CID 134017909
1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 29096210

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride (CID 45370344) is 4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride is Cc1cc(N2CCN(C(=O)NC(C)C)CC2)nc2ccccc12.Cl.
What is the InChIKey of 4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is MTUSCMREUVVOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-13(2)19-18(23)22-10-8-21(9-11-22)17-12-14(3)15-6-4-5-7-16(15)20-17;/h4-7,12-13H,8-11H2,1-3H3,(H,19,23);1H.
What are the key properties of 4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride?
4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 45370344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).