3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one

C27H27N5O3 — CID 22668323

IUPAC3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCOCCN(CCOc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)Cc1cncnc1
InChIInChI=1S/C27H27N5O3/c1-34-10-8-32(17-19-15-28-18-29-16-19)9-11-35-22-6-7-25-21(12-22)14-26(30-25)23-13-20-4-2-3-5-24(20)31-27(23)33/h2-7,12-16,18,30H,8-11,17H2,1H3,(H,31,33)
InChIKeyMMSDWZOTHKORKR-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.99
Rot. Bonds10

About 3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one

3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 22668323) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID22668323
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCOCCN(CCOc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)Cc1cncnc1
InChIInChI=1S/C27H27N5O3/c1-34-10-8-32(17-19-15-28-18-29-16-19)9-11-35-22-6-7-25-21(12-22)14-26(30-25)23-13-20-4-2-3-5-24(20)31-27(23)33/h2-7,12-16,18,30H,8-11,17H2,1H3,(H,31,33)
InChIKeyMMSDWZOTHKORKR-UHFFFAOYSA-N
XLogP3.99
TPSA96.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[2-[2-methoxyethyl-[(2-methylpyrimidin-5-yl)methyl]amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668294
methanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
CID 10299900
N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide
CID 22668226
3-[cyclobutyl-[2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]ethyl]amino]propanoic acid
CID 22668289
2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile
CID 22668287
3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 174398264
3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid
CID 11303467
3-[5-(methylaminomethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 142218394
3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one
CID 22668309
3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 20696650
3-(1H-indol-2-yl)-6-[2-methoxyethyl(methyl)amino]-1H-quinoxalin-2-one
CID 58584670
1-methyl-6-[2-[2-pyridin-3-ylethyl(pyridin-3-ylmethyl)amino]ethoxy]quinolin-2-one;trihydrochloride
CID 66960064

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one (CID 22668323) is 3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one is COCCN(CCOc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)Cc1cncnc1.
What is the InChIKey of 3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is MMSDWZOTHKORKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-34-10-8-32(17-19-15-28-18-29-16-19)9-11-35-22-6-7-25-21(12-22)14-26(30-25)23-13-20-4-2-3-5-24(20)31-27(23)33/h2-7,12-16,18,30H,8-11,17H2,1H3,(H,31,33).
What are the key properties of 3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 469.55 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 22668323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).