2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol

C17H21NO5 — CID 10426085

IUPAC2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol
SMILESCOc1ccc2c(OC)c3c(nc2c1OC)O[C@H](C(C)(C)O)C3
InChIInChI=1S/C17H21NO5/c1-17(2,19)12-8-10-14(21-4)9-6-7-11(20-3)15(22-5)13(9)18-16(10)23-12/h6-7,12,19H,8H2,1-5H3/t12-/m0/s1
InChIKeyKEQCVKMHHPQLBP-LBPRGKRZSA-N
MW319.36 g/mol
LogP2.34
Rot. Bonds4

About 2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol

2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol (PubChem CID 10426085) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol
PubChem CID10426085
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol
SMILESCOc1ccc2c(OC)c3c(nc2c1OC)O[C@H](C(C)(C)O)C3
InChIInChI=1S/C17H21NO5/c1-17(2,19)12-8-10-14(21-4)9-6-7-11(20-3)15(22-5)13(9)18-16(10)23-12/h6-7,12,19H,8H2,1-5H3/t12-/m0/s1
InChIKeyKEQCVKMHHPQLBP-LBPRGKRZSA-N
XLogP2.34
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol (CID 10426085) is 2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol is COc1ccc2c(OC)c3c(nc2c1OC)O[C@H](C(C)(C)O)C3.
What is the InChIKey of 2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol?
The InChIKey is KEQCVKMHHPQLBP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21NO5/c1-17(2,19)12-8-10-14(21-4)9-6-7-11(20-3)15(22-5)13(9)18-16(10)23-12/h6-7,12,19H,8H2,1-5H3/t12-/m0/s1.
What are the key properties of 2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol?
2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol has a molecular weight of 319.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol is sourced from PubChem (CID 10426085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).