N,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

C17H22N4O — CID 53016678

IUPACN,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCNC(=O)c1cc(N2CCN(C)CC2)nc2c(C)cccc12
InChIInChI=1S/C17H22N4O/c1-12-5-4-6-13-14(17(22)18-2)11-15(19-16(12)13)21-9-7-20(3)8-10-21/h4-6,11H,7-10H2,1-3H3,(H,18,22)
InChIKeyBYMWNCNMGWAXAX-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.65
Rot. Bonds2

About N,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

N,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 53016678) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID53016678
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCNC(=O)c1cc(N2CCN(C)CC2)nc2c(C)cccc12
InChIInChI=1S/C17H22N4O/c1-12-5-4-6-13-14(17(22)18-2)11-15(19-16(12)13)21-9-7-20(3)8-10-21/h4-6,11H,7-10H2,1-3H3,(H,18,22)
InChIKeyBYMWNCNMGWAXAX-UHFFFAOYSA-N
XLogP1.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,8-dimethyl-2-morpholin-4-ylquinoline-4-carboxamide
CID 53016665
2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166224
methyl 4-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-4-oxobutanoate
CID 108731300
3-bromo-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 108731281
4-(4,8-dimethylquinolin-2-yl)morpholine
CID 798855
8-methyl-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)quinoline-2-carboxamide
CID 50845346
4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
CID 46891914
2,8-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]quinoline-4-carboxamide
CID 95194938
(3,4-dichlorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754708
(3,4-difluorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108731295
1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108731208
N-[2-[[2-(1,1-dihydroxy-3,5-dihydro-2H-1λ4,4-benzothiazepin-4-yl)-8-methylquinolin-4-yl]amino]ethyl]acetamide
CID 118363829

Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (CID 53016678) is N,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is CNC(=O)c1cc(N2CCN(C)CC2)nc2c(C)cccc12.
What is the InChIKey of N,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is BYMWNCNMGWAXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-5-4-6-13-14(17(22)18-2)11-15(19-16(12)13)21-9-7-20(3)8-10-21/h4-6,11H,7-10H2,1-3H3,(H,18,22).
What are the key properties of N,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
N,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 53016678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).