N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide

C18H24N4O — CID 51073449

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide
SMILESCN1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C18H24N4O/c1-21-11-13-22(14-12-21)10-4-9-19-18(23)17-8-7-15-5-2-3-6-16(15)20-17/h2-3,5-8H,4,9-14H2,1H3,(H,19,23)
InChIKeyORPFCRIYRCKJKO-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.60
Rot. Bonds5

About N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide

N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide (PubChem CID 51073449) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide
PubChem CID51073449
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide
SMILESCN1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1
InChIInChI=1S/C18H24N4O/c1-21-11-13-22(14-12-21)10-4-9-19-18(23)17-8-7-15-5-2-3-6-16(15)20-17/h2-3,5-8H,4,9-14H2,1H3,(H,19,23)
InChIKeyORPFCRIYRCKJKO-UHFFFAOYSA-N
XLogP1.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide
CID 51110395
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-2-carboxamide
CID 37094959
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide
CID 161383648
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide
CID 55663087
N-[5-[5-(quinoline-2-carbonylamino)pentyldisulfanyl]pentyl]quinoline-2-carboxamide
CID 56642778
N-[3-(4-methylpiperazin-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 51073450
N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide
CID 90556263
2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 61249597
6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84574058

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide (CID 51073449) is N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide is CN1CCN(CCCNC(=O)c2ccc3ccccc3n2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide?
The InChIKey is ORPFCRIYRCKJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-11-13-22(14-12-21)10-4-9-19-18(23)17-8-7-15-5-2-3-6-16(15)20-17/h2-3,5-8H,4,9-14H2,1H3,(H,19,23).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide?
N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide is sourced from PubChem (CID 51073449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).