2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one

C19H20ClN3O3 — CID 159000988

IUPAC2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
SMILESO=C1C=C(N2CCOCC2)N=C(CC(=O)N2CCc3cc(Cl)ccc32)C1
InChIInChI=1S/C19H20ClN3O3/c20-14-1-2-17-13(9-14)3-4-23(17)19(25)11-15-10-16(24)12-18(21-15)22-5-7-26-8-6-22/h1-2,9,12H,3-8,10-11H2
InChIKeyJRIGMEDIEAJJBH-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.21
Rot. Bonds3

About 2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one

2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one (PubChem CID 159000988) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one.

Molecular Properties

Compound Name2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
PubChem CID159000988
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
SMILESO=C1C=C(N2CCOCC2)N=C(CC(=O)N2CCc3cc(Cl)ccc32)C1
InChIInChI=1S/C19H20ClN3O3/c20-14-1-2-17-13(9-14)3-4-23(17)19(25)11-15-10-16(24)12-18(21-15)22-5-7-26-8-6-22/h1-2,9,12H,3-8,10-11H2
InChIKeyJRIGMEDIEAJJBH-UHFFFAOYSA-N
XLogP2.21
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one with MolForge

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Related Compounds

2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 147440937
2-[2-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 158474103
2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 161219072
2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 160884208
2-(6-morpholin-4-yl-4-oxo-3H-pyridin-2-yl)-N-(2,4,5-trifluorophenyl)acetamide
CID 148949691
2-[3-(3,5-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 158411819
2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 160582302
2-[3-(4-fluoro-2-hydroxyphenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 153247883
N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 110355069
5-chloro-2,3-dihydroindole-1-carboxylic acid
CID 68859490
2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 161402750
2-[(5-methyl-3H-indol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 147637522

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The IUPAC name of 2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one (CID 159000988) is 2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one.
What is the SMILES notation for 2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The canonical SMILES for 2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one is O=C1C=C(N2CCOCC2)N=C(CC(=O)N2CCc3cc(Cl)ccc32)C1.
What is the InChIKey of 2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The InChIKey is JRIGMEDIEAJJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-14-1-2-17-13(9-14)3-4-23(17)19(25)11-15-10-16(24)12-18(21-15)22-5-7-26-8-6-22/h1-2,9,12H,3-8,10-11H2.
What are the key properties of 2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one?
2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one has a molecular weight of 373.84 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one is sourced from PubChem (CID 159000988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).