N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide

C22H24N4O — CID 55663087

IUPACN-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3ccc4ccccc4n3)cc2)CC1
InChIInChI=1S/C22H24N4O/c1-25-12-14-26(15-13-25)16-17-6-9-19(10-7-17)23-22(27)21-11-8-18-4-2-3-5-20(18)24-21/h2-11H,12-16H2,1H3,(H,23,27)
InChIKeyVQPUVMRTJWWCNO-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.23
Rot. Bonds4

About N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide

N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide (PubChem CID 55663087) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide
PubChem CID55663087
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3ccc4ccccc4n3)cc2)CC1
InChIInChI=1S/C22H24N4O/c1-25-12-14-26(15-13-25)16-17-6-9-19(10-7-17)23-22(27)21-11-8-18-4-2-3-5-20(18)24-21/h2-11H,12-16H2,1H3,(H,23,27)
InChIKeyVQPUVMRTJWWCNO-UHFFFAOYSA-N
XLogP3.23
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide
CID 51073449
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55647641
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide
CID 30336602
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
N-[4-(3-methylbutanoylamino)phenyl]quinoline-2-carboxamide
CID 33027080
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]-3H-benzimidazole-5-carboxamide
CID 59784593
[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 9109587
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide
CID 71795002
5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 108765983
2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743657
4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743672

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide (CID 55663087) is N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide is CN1CCN(Cc2ccc(NC(=O)c3ccc4ccccc4n3)cc2)CC1.
What is the InChIKey of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide?
The InChIKey is VQPUVMRTJWWCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-25-12-14-26(15-13-25)16-17-6-9-19(10-7-17)23-22(27)21-11-8-18-4-2-3-5-20(18)24-21/h2-11H,12-16H2,1H3,(H,23,27).
What are the key properties of N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide?
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 55663087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).