3,4-dihydroxy-5-[1-hydroxy-2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethyl]oxolan-2-one

C19H27NO5 — CID 54336043

IUPAC3,4-dihydroxy-5-[1-hydroxy-2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethyl]oxolan-2-one
SMILESCc1ccc2c(c1)N(CC(O)C1OC(=O)C(O)C1O)C(C)(C)CC2C
InChIInChI=1S/C19H27NO5/c1-10-5-6-12-11(2)8-19(3,4)20(13(12)7-10)9-14(21)17-15(22)16(23)18(24)25-17/h5-7,11,14-17,21-23H,8-9H2,1-4H3
InChIKeyTVNPWZCBKUBAGA-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.10
Rot. Bonds3

About 3,4-dihydroxy-5-[1-hydroxy-2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethyl]oxolan-2-one

3,4-dihydroxy-5-[1-hydroxy-2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethyl]oxolan-2-one (PubChem CID 54336043) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3,4-dihydroxy-5-[1-hydroxy-2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethyl]oxolan-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-5-[1-hydroxy-2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethyl]oxolan-2-one
PubChem CID54336043
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name3,4-dihydroxy-5-[1-hydroxy-2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethyl]oxolan-2-one
SMILESCc1ccc2c(c1)N(CC(O)C1OC(=O)C(O)C1O)C(C)(C)CC2C
InChIInChI=1S/C19H27NO5/c1-10-5-6-12-11(2)8-19(3,4)20(13(12)7-10)9-14(21)17-15(22)16(23)18(24)25-17/h5-7,11,14-17,21-23H,8-9H2,1-4H3
InChIKeyTVNPWZCBKUBAGA-UHFFFAOYSA-N
XLogP1.10
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-5-[1-hydroxy-2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethyl]oxolan-2-one?
The IUPAC name of 3,4-dihydroxy-5-[1-hydroxy-2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethyl]oxolan-2-one (CID 54336043) is 3,4-dihydroxy-5-[1-hydroxy-2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethyl]oxolan-2-one.
What is the SMILES notation for 3,4-dihydroxy-5-[1-hydroxy-2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethyl]oxolan-2-one?
The canonical SMILES for 3,4-dihydroxy-5-[1-hydroxy-2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethyl]oxolan-2-one is Cc1ccc2c(c1)N(CC(O)C1OC(=O)C(O)C1O)C(C)(C)CC2C.
What is the InChIKey of 3,4-dihydroxy-5-[1-hydroxy-2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethyl]oxolan-2-one?
The InChIKey is TVNPWZCBKUBAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-10-5-6-12-11(2)8-19(3,4)20(13(12)7-10)9-14(21)17-15(22)16(23)18(24)25-17/h5-7,11,14-17,21-23H,8-9H2,1-4H3.
What are the key properties of 3,4-dihydroxy-5-[1-hydroxy-2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethyl]oxolan-2-one?
3,4-dihydroxy-5-[1-hydroxy-2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethyl]oxolan-2-one has a molecular weight of 349.43 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-5-[1-hydroxy-2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethyl]oxolan-2-one is sourced from PubChem (CID 54336043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).