2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione

C26H24N2O4 — CID 86695893

IUPAC2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione
SMILESCC(C)C[C@@H](COc1ccc2c(c1)OCc1cnccc1-2)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H24N2O4/c1-16(2)11-18(28-25(29)22-5-3-4-6-23(22)26(28)30)15-31-19-7-8-21-20-9-10-27-13-17(20)14-32-24(21)12-19/h3-10,12-13,16,18H,11,14-15H2,1-2H3/t18-/m0/s1
InChIKeyRMFGKVIBYFUEPQ-SFHVURJKSA-N
MW428.49 g/mol
LogP4.73
Rot. Bonds6

About 2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione

2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione (PubChem CID 86695893) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione
PubChem CID86695893
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione
SMILESCC(C)C[C@@H](COc1ccc2c(c1)OCc1cnccc1-2)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H24N2O4/c1-16(2)11-18(28-25(29)22-5-3-4-6-23(22)26(28)30)15-31-19-7-8-21-20-9-10-27-13-17(20)14-32-24(21)12-19/h3-10,12-13,16,18H,11,14-15H2,1-2H3/t18-/m0/s1
InChIKeyRMFGKVIBYFUEPQ-SFHVURJKSA-N
XLogP4.73
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione with MolForge

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Related Compounds

1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine
CID 141445863
N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-phenoxypropanamide
CID 90466526
1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine
CID 90233481
N-(2-methoxy-1-phenylethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 144769773
N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-phenylacetamide
CID 121363957
(2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
CID 134520684
tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate
CID 90357824
8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine
CID 130389266
1-(5H-chromeno[3,4-c]pyridin-8-yl)-3-(2,6-difluorophenyl)butan-1-one
CID 147265734
2-[(2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-yl]isoindole-1,3-dione
CID 162755196
2-[1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-yl]isoindole-1,3-dione
CID 166986426
2-[(2S)-1-[9-(1-ethoxyethenyl)-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl]oxy-4-methylpentan-2-yl]isoindole-1,3-dione
CID 86710376

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione (CID 86695893) is 2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione is CC(C)C[C@@H](COc1ccc2c(c1)OCc1cnccc1-2)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione?
The InChIKey is RMFGKVIBYFUEPQ-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-16(2)11-18(28-25(29)22-5-3-4-6-23(22)26(28)30)15-31-19-7-8-21-20-9-10-27-13-17(20)14-32-24(21)12-19/h3-10,12-13,16,18H,11,14-15H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione?
2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione has a molecular weight of 428.49 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 86695893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).