3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one

C32H33N7O4 — CID 177158468

IUPAC3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one
SMILESCC1(C)C(=O)Nc2ccc(CCn3c(CCn4nc5ccccn5c4=O)nc4cc(N5CCOCC5)ccc4c3=O)cc21
InChIInChI=1S/C32H33N7O4/c1-32(2)24-19-21(6-9-25(24)34-30(32)41)10-13-37-27(11-14-39-31(42)38-12-4-3-5-28(38)35-39)33-26-20-22(7-8-23(26)29(37)40)36-15-17-43-18-16-36/h3-9,12,19-20H,10-11,13-18H2,1-2H3,(H,34,41)
InChIKeyNVOBULHYBHIXPF-UHFFFAOYSA-N
MW579.66 g/mol
LogP2.76
Rot. Bonds7

About 3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one

3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one (PubChem CID 177158468) has the molecular formula C32H33N7O4 and a molecular weight of 579.66 g/mol. Its IUPAC name is 3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one
PubChem CID177158468
Molecular FormulaC32H33N7O4
Molecular Weight579.66 g/mol
Exact Mass579.26
IUPAC Name3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one
SMILESCC1(C)C(=O)Nc2ccc(CCn3c(CCn4nc5ccccn5c4=O)nc4cc(N5CCOCC5)ccc4c3=O)cc21
InChIInChI=1S/C32H33N7O4/c1-32(2)24-19-21(6-9-25(24)34-30(32)41)10-13-37-27(11-14-39-31(42)38-12-4-3-5-28(38)35-39)33-26-20-22(7-8-23(26)29(37)40)36-15-17-43-18-16-36/h3-9,12,19-20H,10-11,13-18H2,1-2H3,(H,34,41)
InChIKeyNVOBULHYBHIXPF-UHFFFAOYSA-N
XLogP2.76
TPSA115.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.66
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 177158563
2-[2-[5-[2,3-dimethoxy-5-[2-[7-[(2S,6R)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]phenyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-7-(1,4-oxazepan-4-yl)quinazolin-4-one
CID 177158739
2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 59225842
2-[2-[7-(4-acetylpiperazin-1-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4H-isoquinoline-1,3-dione
CID 177158470
7-morpholin-4-yl-4-(2-phenylethyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 162673177
2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86927836
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 17422926
7-[(2R)-2-[(3-fluoroazetidin-1-yl)methyl]morpholin-4-yl]-3-[2-(2-methyl-1-oxo-3H-isoindol-5-yl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]quinazolin-4-one
CID 177158771
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4-(2-morpholin-4-ylethyl)isoindole-1,3-dione
CID 177159086
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;methanol
CID 19795514
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one chloride
CID 45114117

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one (CID 177158468) is 3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one is CC1(C)C(=O)Nc2ccc(CCn3c(CCn4nc5ccccn5c4=O)nc4cc(N5CCOCC5)ccc4c3=O)cc21.
What is the InChIKey of 3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one?
The InChIKey is NVOBULHYBHIXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O4/c1-32(2)24-19-21(6-9-25(24)34-30(32)41)10-13-37-27(11-14-39-31(42)38-12-4-3-5-28(38)35-39)33-26-20-22(7-8-23(26)29(37)40)36-15-17-43-18-16-36/h3-9,12,19-20H,10-11,13-18H2,1-2H3,(H,34,41).
What are the key properties of 3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one?
3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one has a molecular weight of 579.66 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 177158468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).