4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one

C25H28N4O3 — CID 91018820

IUPAC4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCN1CCN(CCCOc2ccc3[nH]c(-c4c(O)c5ccccc5[nH]c4=O)cc3c2)CC1
InChIInChI=1S/C25H28N4O3/c1-28-10-12-29(13-11-28)9-4-14-32-18-7-8-20-17(15-18)16-22(26-20)23-24(30)19-5-2-3-6-21(19)27-25(23)31/h2-3,5-8,15-16,26H,4,9-14H2,1H3,(H2,27,30,31)
InChIKeySYGNEYVIKANTCZ-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.40
Rot. Bonds6

About 4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one

4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 91018820) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID91018820
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCN1CCN(CCCOc2ccc3[nH]c(-c4c(O)c5ccccc5[nH]c4=O)cc3c2)CC1
InChIInChI=1S/C25H28N4O3/c1-28-10-12-29(13-11-28)9-4-14-32-18-7-8-20-17(15-18)16-22(26-20)23-24(30)19-5-2-3-6-21(19)27-25(23)31/h2-3,5-8,15-16,26H,4,9-14H2,1H3,(H2,27,30,31)
InChIKeySYGNEYVIKANTCZ-UHFFFAOYSA-N
XLogP3.40
TPSA84.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991
N-[3-(2-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide
CID 156806659
3-amino-2-(3-hydroxyphenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599897
1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol
CID 135489184
6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one
CID 13363014
[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone
CID 90683529
4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine
CID 18436974
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
CID 16666861
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one
CID 119138424
6-ethoxy-3-(3-morpholin-4-ylpropyl)-1H-quinolin-2-one
CID 170870835

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one (CID 91018820) is 4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one is CN1CCN(CCCOc2ccc3[nH]c(-c4c(O)c5ccccc5[nH]c4=O)cc3c2)CC1.
What is the InChIKey of 4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is SYGNEYVIKANTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-28-10-12-29(13-11-28)9-4-14-32-18-7-8-20-17(15-18)16-22(26-20)23-24(30)19-5-2-3-6-21(19)27-25(23)31/h2-3,5-8,15-16,26H,4,9-14H2,1H3,(H2,27,30,31).
What are the key properties of 4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 432.52 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 91018820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).