6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one

C25H28N4O3 — CID 68766753

IUPAC6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one
SMILESCNCC(O)CN1CCN(c2nc3ccccc3c3c2-c2ccc(OC)cc2C3=O)CC1
InChIInChI=1S/C25H28N4O3/c1-26-14-16(30)15-28-9-11-29(12-10-28)25-23-18-8-7-17(32-2)13-20(18)24(31)22(23)19-5-3-4-6-21(19)27-25/h3-8,13,16,26,30H,9-12,14-15H2,1-2H3
InChIKeyLFBTWBGFPKJTGS-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.16
Rot. Bonds6

About 6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one

6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one (PubChem CID 68766753) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one.

Molecular Properties

Compound Name6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one
PubChem CID68766753
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one
SMILESCNCC(O)CN1CCN(c2nc3ccccc3c3c2-c2ccc(OC)cc2C3=O)CC1
InChIInChI=1S/C25H28N4O3/c1-26-14-16(30)15-28-9-11-29(12-10-28)25-23-18-8-7-17(32-2)13-20(18)24(31)22(23)19-5-3-4-6-21(19)27-25/h3-8,13,16,26,30H,9-12,14-15H2,1-2H3
InChIKeyLFBTWBGFPKJTGS-UHFFFAOYSA-N
XLogP2.16
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one with MolForge

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Related Compounds

1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol
CID 43187937
8,9-dimethoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-one
CID 68770621
9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one
CID 118223476
2-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]isoindole-1,3-dione
CID 74226848
3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine
CID 74369056
(1S)-2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(2,5-dimethoxyphenyl)ethanol
CID 51595920
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(2,5-dimethoxyphenyl)ethanol
CID 46968065
1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol
CID 53370935
1-(4-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 4041027
1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60898032
5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione
CID 12049959
3-[2-(dimethylamino)ethylamino]-1-[4-(9-methoxy-11-nitroso-11H-indeno[1,2-c]quinolin-6-yl)piperazin-1-yl]propan-1-one
CID 91270548

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one?
The IUPAC name of 6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one (CID 68766753) is 6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one.
What is the SMILES notation for 6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one?
The canonical SMILES for 6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one is CNCC(O)CN1CCN(c2nc3ccccc3c3c2-c2ccc(OC)cc2C3=O)CC1.
What is the InChIKey of 6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one?
The InChIKey is LFBTWBGFPKJTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-26-14-16(30)15-28-9-11-29(12-10-28)25-23-18-8-7-17(32-2)13-20(18)24(31)22(23)19-5-3-4-6-21(19)27-25/h3-8,13,16,26,30H,9-12,14-15H2,1-2H3.
What are the key properties of 6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one?
6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one has a molecular weight of 432.52 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 68766753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).