4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C18H17NO5 — CID 58317198

IUPAC4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCOCc3ccccc3)c2C(=O)N1
InChIInChI=1S/C18H17NO5/c20-15-10-14-17(18(22)19-15)13(9-16(21)24-14)7-4-8-23-11-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10-11H2,(H,19,20,22)
InChIKeyKJFXUYCDRDHWSO-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.60
Rot. Bonds6

About 4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317198) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317198
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCOCc3ccccc3)c2C(=O)N1
InChIInChI=1S/C18H17NO5/c20-15-10-14-17(18(22)19-15)13(9-16(21)24-14)7-4-8-23-11-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10-11H2,(H,19,20,22)
InChIKeyKJFXUYCDRDHWSO-UHFFFAOYSA-N
XLogP1.60
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Berkeleyamide B
CID 24879337
[(R)-[5-(3-methylbutanoylcarbamoyl)-4-oxopyran-2-yl]-phenylmethyl] acetate
CID 162890550
[(R)-[5-[[(2S)-2-methylbutanoyl]carbamoyl]-4-oxopyran-2-yl]-phenylmethyl] acetate
CID 163106110
4-(2-cyclobutylethyl)-3-(4-fluorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317075
4-butyl-3-(4-fluorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317202
Benzyl 2-(1-acetamido-4-oxocyclohexa-2,5-dien-1-yl)acetate
CID 177853967
(2-Fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 47067869
1-(4-Fluorophenyl)propyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 48911699
(3-Fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 51089881
(4-Fluorophenyl)methyl 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 51089882
[(1S)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 94737972
[(1R)-1-(4-fluorophenyl)propyl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 94737975

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317198) is 4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CCCOCc3ccccc3)c2C(=O)N1.
What is the InChIKey of 4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is KJFXUYCDRDHWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c20-15-10-14-17(18(22)19-15)13(9-16(21)24-14)7-4-8-23-11-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10-11H2,(H,19,20,22).
What are the key properties of 4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 327.34 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).