6-[6-chloro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid

C22H24ClN3O4 — CID 71284738

IUPAC6-[6-chloro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN3CCOCC3)n(C)c2cc1Cl
InChIInChI=1S/C22H24ClN3O4/c1-3-13-9-17(22(28)29)21(27)24-20(13)16-10-14-8-15(12-26-4-6-30-7-5-26)25(2)19(14)11-18(16)23/h8-11H,3-7,12H2,1-2H3,(H,24,27)(H,28,29)
InChIKeyMDIIAQONWSQFEM-UHFFFAOYSA-N
MW429.90 g/mol
LogP3.28
Rot. Bonds5

About 6-[6-chloro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid

6-[6-chloro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71284738) has the molecular formula C22H24ClN3O4 and a molecular weight of 429.90 g/mol. Its IUPAC name is 6-[6-chloro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[6-chloro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71284738
Molecular FormulaC22H24ClN3O4
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC Name6-[6-chloro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN3CCOCC3)n(C)c2cc1Cl
InChIInChI=1S/C22H24ClN3O4/c1-3-13-9-17(22(28)29)21(27)24-20(13)16-10-14-8-15(12-26-4-6-30-7-5-26)25(2)19(14)11-18(16)23/h8-11H,3-7,12H2,1-2H3,(H,24,27)(H,28,29)
InChIKeyMDIIAQONWSQFEM-UHFFFAOYSA-N
XLogP3.28
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-20-ethyl-20-hydroxy-7-methyl-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione
CID 10811551
5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284683
5-ethyl-6-[7-fluoro-1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71285134
5-ethyl-6-[7-fluoro-1,6-dimethyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 117854182
5-ethyl-4-hydroxy-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 118951588
5-ethyl-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-4-(2,2,2-trifluoroacetyl)oxy-1H-pyridine-3-carboxylic acid
CID 118951590
(2,2,2-trifluoroacetyl) 5-ethyl-4-hydroxy-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylate
CID 145032351
6-Chloro-20-ethyl-20-hydroxy-7-methyl-10-(morpholin-4-ylmethyl)-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione
CID 21892042
6-Chloro-20-ethyl-20-hydroxy-7-methyl-10-[(2-phenylethylamino)methyl]-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione
CID 69955177
4-hydroxy-6-[2-[(1-methoxypropan-2-ylamino)methyl]-1-methylindol-5-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281754
5-ethyl-4-hydroxy-6-[2-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281951
5-ethyl-6-[2-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281993

Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[6-chloro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 71284738) is 6-[6-chloro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[6-chloro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[6-chloro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1cc2cc(CN3CCOCC3)n(C)c2cc1Cl.
What is the InChIKey of 6-[6-chloro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is MDIIAQONWSQFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4/c1-3-13-9-17(22(28)29)21(27)24-20(13)16-10-14-8-15(12-26-4-6-30-7-5-26)25(2)19(14)11-18(16)23/h8-11H,3-7,12H2,1-2H3,(H,24,27)(H,28,29).
What are the key properties of 6-[6-chloro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
6-[6-chloro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 429.90 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).