(3S)-3-benzyl-2-methoxy-6-quinolin-2-yl-3,4-dihydrochromen-2-ol

C26H23NO3 — CID 57100130

IUPAC(3S)-3-benzyl-2-methoxy-6-quinolin-2-yl-3,4-dihydrochromen-2-ol
SMILESCOC1(O)Oc2ccc(-c3ccc4ccccc4n3)cc2C[C@@H]1Cc1ccccc1
InChIInChI=1S/C26H23NO3/c1-29-26(28)22(15-18-7-3-2-4-8-18)17-21-16-20(12-14-25(21)30-26)24-13-11-19-9-5-6-10-23(19)27-24/h2-14,16,22,28H,15,17H2,1H3/t22-,26?/m0/s1
InChIKeySNZURPCKJJFUGI-CHQVSRGASA-N
MW397.47 g/mol
LogP4.99
Rot. Bonds4

About (3S)-3-benzyl-2-methoxy-6-quinolin-2-yl-3,4-dihydrochromen-2-ol

(3S)-3-benzyl-2-methoxy-6-quinolin-2-yl-3,4-dihydrochromen-2-ol (PubChem CID 57100130) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is (3S)-3-benzyl-2-methoxy-6-quinolin-2-yl-3,4-dihydrochromen-2-ol.

Molecular Properties

Compound Name(3S)-3-benzyl-2-methoxy-6-quinolin-2-yl-3,4-dihydrochromen-2-ol
PubChem CID57100130
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name(3S)-3-benzyl-2-methoxy-6-quinolin-2-yl-3,4-dihydrochromen-2-ol
SMILESCOC1(O)Oc2ccc(-c3ccc4ccccc4n3)cc2C[C@@H]1Cc1ccccc1
InChIInChI=1S/C26H23NO3/c1-29-26(28)22(15-18-7-3-2-4-8-18)17-21-16-20(12-14-25(21)30-26)24-13-11-19-9-5-6-10-23(19)27-24/h2-14,16,22,28H,15,17H2,1H3/t22-,26?/m0/s1
InChIKeySNZURPCKJJFUGI-CHQVSRGASA-N
XLogP4.99
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-2-methoxy-6-quinolin-2-yl-3,4-dihydrochromen-2-ol?
The IUPAC name of (3S)-3-benzyl-2-methoxy-6-quinolin-2-yl-3,4-dihydrochromen-2-ol (CID 57100130) is (3S)-3-benzyl-2-methoxy-6-quinolin-2-yl-3,4-dihydrochromen-2-ol.
What is the SMILES notation for (3S)-3-benzyl-2-methoxy-6-quinolin-2-yl-3,4-dihydrochromen-2-ol?
The canonical SMILES for (3S)-3-benzyl-2-methoxy-6-quinolin-2-yl-3,4-dihydrochromen-2-ol is COC1(O)Oc2ccc(-c3ccc4ccccc4n3)cc2C[C@@H]1Cc1ccccc1.
What is the InChIKey of (3S)-3-benzyl-2-methoxy-6-quinolin-2-yl-3,4-dihydrochromen-2-ol?
The InChIKey is SNZURPCKJJFUGI-CHQVSRGASA-N. The full InChI is InChI=1S/C26H23NO3/c1-29-26(28)22(15-18-7-3-2-4-8-18)17-21-16-20(12-14-25(21)30-26)24-13-11-19-9-5-6-10-23(19)27-24/h2-14,16,22,28H,15,17H2,1H3/t22-,26?/m0/s1.
What are the key properties of (3S)-3-benzyl-2-methoxy-6-quinolin-2-yl-3,4-dihydrochromen-2-ol?
(3S)-3-benzyl-2-methoxy-6-quinolin-2-yl-3,4-dihydrochromen-2-ol has a molecular weight of 397.47 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-2-methoxy-6-quinolin-2-yl-3,4-dihydrochromen-2-ol is sourced from PubChem (CID 57100130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).