3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one

C18H26N4O — CID 119138424

IUPAC3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one
SMILESCN1CCN(CCCNCc2cc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C18H26N4O/c1-21-9-11-22(12-10-21)8-4-7-19-14-16-13-15-5-2-3-6-17(15)20-18(16)23/h2-3,5-6,13,19H,4,7-12,14H2,1H3,(H,20,23)
InChIKeyRHRTUJMILGULHO-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.26
Rot. Bonds6

About 3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one

3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one (PubChem CID 119138424) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one
PubChem CID119138424
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one
SMILESCN1CCN(CCCNCc2cc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C18H26N4O/c1-21-9-11-22(12-10-21)8-4-7-19-14-16-13-15-5-2-3-6-17(15)20-18(16)23/h2-3,5-6,13,19H,4,7-12,14H2,1H3,(H,20,23)
InChIKeyRHRTUJMILGULHO-UHFFFAOYSA-N
XLogP1.26
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
CID 3169163
3-[(pent-4-ynylamino)methyl]-1H-quinolin-2-one
CID 113243576
3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one
CID 131903035
2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol
CID 28656653
7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 170864276
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one
CID 83011373
3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 115664647
N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
CID 119136138
3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
CID 103527928
3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 56759152

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one (CID 119138424) is 3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one is CN1CCN(CCCNCc2cc3ccccc3[nH]c2=O)CC1.
What is the InChIKey of 3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one?
The InChIKey is RHRTUJMILGULHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21-9-11-22(12-10-21)8-4-7-19-14-16-13-15-5-2-3-6-17(15)20-18(16)23/h2-3,5-6,13,19H,4,7-12,14H2,1H3,(H,20,23).
What are the key properties of 3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one?
3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one has a molecular weight of 314.43 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 119138424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).