N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide

C30H27N5O3 — CID 22499500

IUPACN-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide
SMILESO=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1cccc2cccnc12)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C30H27N5O3/c36-28(34-17-11-25(12-18-34)38-24-9-14-31-15-10-24)20-35(27-5-1-3-22-4-2-13-33-29(22)27)30(37)23-7-6-21-8-16-32-26(21)19-23/h1-10,13-16,19,25,32H,11-12,17-18,20H2
InChIKeyWDMGDZRFIAGPCO-UHFFFAOYSA-N
MW505.58 g/mol
LogP4.83
Rot. Bonds6

About N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide

N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide (PubChem CID 22499500) has the molecular formula C30H27N5O3 and a molecular weight of 505.58 g/mol. Its IUPAC name is N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide
PubChem CID22499500
Molecular FormulaC30H27N5O3
Molecular Weight505.58 g/mol
Exact Mass505.21
IUPAC NameN-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide
SMILESO=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1cccc2cccnc12)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C30H27N5O3/c36-28(34-17-11-25(12-18-34)38-24-9-14-31-15-10-24)20-35(27-5-1-3-22-4-2-13-33-29(22)27)30(37)23-7-6-21-8-16-32-26(21)19-23/h1-10,13-16,19,25,32H,11-12,17-18,20H2
InChIKeyWDMGDZRFIAGPCO-UHFFFAOYSA-N
XLogP4.83
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride
CID 22499519
N-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide
CID 22499424
N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide
CID 22321792
(3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone
CID 166194792
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-quinolin-8-ylacetamide
CID 113178652
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 71799506
7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid
CID 142800445
N-[2-[4-(1-methylpiperidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide
CID 91340383
[1-[[1-[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl 2,2,2-trifluoroacetate
CID 22677917
1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626672
naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558697
1H-pyrazol-4-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 131929770

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide?
The IUPAC name of N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide (CID 22499500) is N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide?
The canonical SMILES for N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide is O=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1cccc2cccnc12)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide?
The InChIKey is WDMGDZRFIAGPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O3/c36-28(34-17-11-25(12-18-34)38-24-9-14-31-15-10-24)20-35(27-5-1-3-22-4-2-13-33-29(22)27)30(37)23-7-6-21-8-16-32-26(21)19-23/h1-10,13-16,19,25,32H,11-12,17-18,20H2.
What are the key properties of N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide?
N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide has a molecular weight of 505.58 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-N-quinolin-8-yl-1H-indole-6-carboxamide is sourced from PubChem (CID 22499500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).