(2S)-2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol

C15H17NO4 — CID 673469

IUPAC(2S)-2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol
SMILESCOc1c2c(nc3ccccc13)O[C@H]([C@@](C)(O)CO)C2
InChIInChI=1S/C15H17NO4/c1-15(18,8-17)12-7-10-13(19-2)9-5-3-4-6-11(9)16-14(10)20-12/h3-6,12,17-18H,7-8H2,1-2H3/t12-,15-/m0/s1
InChIKeyNETGEQWGGLFVRL-WFASDCNBSA-N
MW275.30 g/mol
LogP1.29
Rot. Bonds3

About (2S)-2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol

(2S)-2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol (PubChem CID 673469) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (2S)-2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol
PubChem CID673469
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(2S)-2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol
SMILESCOc1c2c(nc3ccccc13)O[C@H]([C@@](C)(O)CO)C2
InChIInChI=1S/C15H17NO4/c1-15(18,8-17)12-7-10-13(19-2)9-5-3-4-6-11(9)16-14(10)20-12/h3-6,12,17-18H,7-8H2,1-2H3/t12-,15-/m0/s1
InChIKeyNETGEQWGGLFVRL-WFASDCNBSA-N
XLogP1.29
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol?
The IUPAC name of (2S)-2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol (CID 673469) is (2S)-2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol.
What is the SMILES notation for (2S)-2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol?
The canonical SMILES for (2S)-2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol is COc1c2c(nc3ccccc13)O[C@H]([C@@](C)(O)CO)C2.
What is the InChIKey of (2S)-2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol?
The InChIKey is NETGEQWGGLFVRL-WFASDCNBSA-N. The full InChI is InChI=1S/C15H17NO4/c1-15(18,8-17)12-7-10-13(19-2)9-5-3-4-6-11(9)16-14(10)20-12/h3-6,12,17-18H,7-8H2,1-2H3/t12-,15-/m0/s1.
What are the key properties of (2S)-2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol?
(2S)-2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol has a molecular weight of 275.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propane-1,2-diol is sourced from PubChem (CID 673469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).