N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide

C22H22N4O2 — CID 30336602

IUPACN-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C22H22N4O2/c1-25-12-14-26(15-13-25)22(28)17-7-3-5-9-19(17)24-21(27)20-11-10-16-6-2-4-8-18(16)23-20/h2-11H,12-15H2,1H3,(H,24,27)
InChIKeyCAEUWDIUZJFRQY-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.87
Rot. Bonds3

About N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide

N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide (PubChem CID 30336602) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide
PubChem CID30336602
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C22H22N4O2/c1-25-12-14-26(15-13-25)22(28)17-7-3-5-9-19(17)24-21(27)20-11-10-16-6-2-4-8-18(16)23-20/h2-11H,12-15H2,1H3,(H,24,27)
InChIKeyCAEUWDIUZJFRQY-UHFFFAOYSA-N
XLogP2.87
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide
CID 55643662
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 39652535
N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide
CID 17420584
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122336357
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide
CID 55663087
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide
CID 55676948
N-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide
CID 64794719
N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]acetamide
CID 4943816
N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide
CID 51073449
3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-6-methylpyridine-2-carboxamide
CID 46442735

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide (CID 30336602) is N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide is CN1CCN(C(=O)c2ccccc2NC(=O)c2ccc3ccccc3n2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide?
The InChIKey is CAEUWDIUZJFRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-25-12-14-26(15-13-25)22(28)17-7-3-5-9-19(17)24-21(27)20-11-10-16-6-2-4-8-18(16)23-20/h2-11H,12-15H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide?
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 30336602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).