(2R,4S)-2-methoxy-3-phenylmethoxy-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-ol

C26H23NO4 — CID 54098209

IUPAC(2R,4S)-2-methoxy-3-phenylmethoxy-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCO[C@@H]1Oc2ccc(-c3ccc4ccccc4n3)cc2[C@H](O)C1OCc1ccccc1
InChIInChI=1S/C26H23NO4/c1-29-26-25(30-16-17-7-3-2-4-8-17)24(28)20-15-19(12-14-23(20)31-26)22-13-11-18-9-5-6-10-21(18)27-22/h2-15,24-26,28H,16H2,1H3/t24-,25?,26+/m0/s1
InChIKeyMYQQDFXITLUWPI-KCIKGWAESA-N
MW413.47 g/mol
LogP4.89
Rot. Bonds5

About (2R,4S)-2-methoxy-3-phenylmethoxy-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-ol

(2R,4S)-2-methoxy-3-phenylmethoxy-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 54098209) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is (2R,4S)-2-methoxy-3-phenylmethoxy-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(2R,4S)-2-methoxy-3-phenylmethoxy-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-ol
PubChem CID54098209
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name(2R,4S)-2-methoxy-3-phenylmethoxy-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCO[C@@H]1Oc2ccc(-c3ccc4ccccc4n3)cc2[C@H](O)C1OCc1ccccc1
InChIInChI=1S/C26H23NO4/c1-29-26-25(30-16-17-7-3-2-4-8-17)24(28)20-15-19(12-14-23(20)31-26)22-13-11-18-9-5-6-10-21(18)27-22/h2-15,24-26,28H,16H2,1H3/t24-,25?,26+/m0/s1
InChIKeyMYQQDFXITLUWPI-KCIKGWAESA-N
XLogP4.89
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methoxy-3-phenylmethoxy-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (2R,4S)-2-methoxy-3-phenylmethoxy-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-ol (CID 54098209) is (2R,4S)-2-methoxy-3-phenylmethoxy-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (2R,4S)-2-methoxy-3-phenylmethoxy-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (2R,4S)-2-methoxy-3-phenylmethoxy-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-ol is CO[C@@H]1Oc2ccc(-c3ccc4ccccc4n3)cc2[C@H](O)C1OCc1ccccc1.
What is the InChIKey of (2R,4S)-2-methoxy-3-phenylmethoxy-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is MYQQDFXITLUWPI-KCIKGWAESA-N. The full InChI is InChI=1S/C26H23NO4/c1-29-26-25(30-16-17-7-3-2-4-8-17)24(28)20-15-19(12-14-23(20)31-26)22-13-11-18-9-5-6-10-21(18)27-22/h2-15,24-26,28H,16H2,1H3/t24-,25?,26+/m0/s1.
What are the key properties of (2R,4S)-2-methoxy-3-phenylmethoxy-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-ol?
(2R,4S)-2-methoxy-3-phenylmethoxy-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 413.47 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methoxy-3-phenylmethoxy-6-quinolin-2-yl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 54098209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).