3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(triazol-1-yl)-1H-quinolin-2-one

C25H24N6O — CID 135908179

IUPAC3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(triazol-1-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(-n3ccnn3)cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1
InChIInChI=1S/C25H24N6O/c32-25-21(14-19-13-20(5-7-23(19)28-25)31-11-8-26-29-31)24-15-18-12-17(4-6-22(18)27-24)16-30-9-2-1-3-10-30/h4-8,11-15,27H,1-3,9-10,16H2,(H,28,32)
InChIKeyBVMPOFIIMLEMOV-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.24
Rot. Bonds4

About 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(triazol-1-yl)-1H-quinolin-2-one

3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(triazol-1-yl)-1H-quinolin-2-one (PubChem CID 135908179) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(triazol-1-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(triazol-1-yl)-1H-quinolin-2-one
PubChem CID135908179
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(triazol-1-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(-n3ccnn3)cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1
InChIInChI=1S/C25H24N6O/c32-25-21(14-19-13-20(5-7-23(19)28-25)31-11-8-26-29-31)24-15-18-12-17(4-6-22(18)27-24)16-30-9-2-1-3-10-30/h4-8,11-15,27H,1-3,9-10,16H2,(H,28,32)
InChIKeyBVMPOFIIMLEMOV-UHFFFAOYSA-N
XLogP4.24
TPSA82.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
1,3-Dihydro-3-[(1-methyl-1H-indol-3-yl)methylene]-2H-pyrrolo[3,2-b]pyridin-2-one
CID 16219401
Maleimide derivative, 12
CID 44263384
3-(5-{[4-(Aminomethyl)piperidin-1-YL]methyl}-1H-indol-2-YL)quinolin-2(1H)-one
CID 10156987
(3Z)-1,3-Dihydro-3-((1-methyl-1H-indol-3-yl)methylene)-2H-pyrrolo(3,2-b)pyridin-2-one
CID 9943465
3-{4-[4-(4-Acetylamino-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11259059
3-[4-(4-Phenyl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
CID 11303411
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
3-(5-(morpholinomethyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 44419980
N-{1-[(5-Methyl-1h-Indol-3-Yl)methyl]piperidin-4-Yl}-L-Tryptophanamide
CID 73167574
N-[5-(1H-indol-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 91995966
{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-pyrrolidin-1-yl-methanone
CID 44293213

Frequently Asked Questions

What is the IUPAC name of 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(triazol-1-yl)-1H-quinolin-2-one?
The IUPAC name of 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(triazol-1-yl)-1H-quinolin-2-one (CID 135908179) is 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(triazol-1-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(triazol-1-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(triazol-1-yl)-1H-quinolin-2-one is O=c1[nH]c2ccc(-n3ccnn3)cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1.
What is the InChIKey of 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(triazol-1-yl)-1H-quinolin-2-one?
The InChIKey is BVMPOFIIMLEMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c32-25-21(14-19-13-20(5-7-23(19)28-25)31-11-8-26-29-31)24-15-18-12-17(4-6-22(18)27-24)16-30-9-2-1-3-10-30/h4-8,11-15,27H,1-3,9-10,16H2,(H,28,32).
What are the key properties of 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(triazol-1-yl)-1H-quinolin-2-one?
3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(triazol-1-yl)-1H-quinolin-2-one has a molecular weight of 424.51 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(triazol-1-yl)-1H-quinolin-2-one is sourced from PubChem (CID 135908179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).