3-benzyl-2-methoxy-2-methyl-6-quinolin-2-yl-3,4-dihydrochromen-4-ol

C27H25NO3 — CID 19600739

IUPAC3-benzyl-2-methoxy-2-methyl-6-quinolin-2-yl-3,4-dihydrochromen-4-ol
SMILESCOC1(C)Oc2ccc(-c3ccc4ccccc4n3)cc2C(O)C1Cc1ccccc1
InChIInChI=1S/C27H25NO3/c1-27(30-2)22(16-18-8-4-3-5-9-18)26(29)21-17-20(13-15-25(21)31-27)24-14-12-19-10-6-7-11-23(19)28-24/h3-15,17,22,26,29H,16H2,1-2H3
InChIKeyWQVOAXKNRICYND-UHFFFAOYSA-N
MW411.50 g/mol
LogP5.55
Rot. Bonds4

About 3-benzyl-2-methoxy-2-methyl-6-quinolin-2-yl-3,4-dihydrochromen-4-ol

3-benzyl-2-methoxy-2-methyl-6-quinolin-2-yl-3,4-dihydrochromen-4-ol (PubChem CID 19600739) has the molecular formula C27H25NO3 and a molecular weight of 411.50 g/mol. Its IUPAC name is 3-benzyl-2-methoxy-2-methyl-6-quinolin-2-yl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name3-benzyl-2-methoxy-2-methyl-6-quinolin-2-yl-3,4-dihydrochromen-4-ol
PubChem CID19600739
Molecular FormulaC27H25NO3
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC Name3-benzyl-2-methoxy-2-methyl-6-quinolin-2-yl-3,4-dihydrochromen-4-ol
SMILESCOC1(C)Oc2ccc(-c3ccc4ccccc4n3)cc2C(O)C1Cc1ccccc1
InChIInChI=1S/C27H25NO3/c1-27(30-2)22(16-18-8-4-3-5-9-18)26(29)21-17-20(13-15-25(21)31-27)24-14-12-19-10-6-7-11-23(19)28-24/h3-15,17,22,26,29H,16H2,1-2H3
InChIKeyWQVOAXKNRICYND-UHFFFAOYSA-N
XLogP5.55
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methoxy-2-methyl-6-quinolin-2-yl-3,4-dihydrochromen-4-ol?
The IUPAC name of 3-benzyl-2-methoxy-2-methyl-6-quinolin-2-yl-3,4-dihydrochromen-4-ol (CID 19600739) is 3-benzyl-2-methoxy-2-methyl-6-quinolin-2-yl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 3-benzyl-2-methoxy-2-methyl-6-quinolin-2-yl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 3-benzyl-2-methoxy-2-methyl-6-quinolin-2-yl-3,4-dihydrochromen-4-ol is COC1(C)Oc2ccc(-c3ccc4ccccc4n3)cc2C(O)C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methoxy-2-methyl-6-quinolin-2-yl-3,4-dihydrochromen-4-ol?
The InChIKey is WQVOAXKNRICYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO3/c1-27(30-2)22(16-18-8-4-3-5-9-18)26(29)21-17-20(13-15-25(21)31-27)24-14-12-19-10-6-7-11-23(19)28-24/h3-15,17,22,26,29H,16H2,1-2H3.
What are the key properties of 3-benzyl-2-methoxy-2-methyl-6-quinolin-2-yl-3,4-dihydrochromen-4-ol?
3-benzyl-2-methoxy-2-methyl-6-quinolin-2-yl-3,4-dihydrochromen-4-ol has a molecular weight of 411.50 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methoxy-2-methyl-6-quinolin-2-yl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 19600739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).