4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol

C28H29NO4 — CID 21040728

IUPAC4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol
SMILESCc1cc(CCO)cc(C(c2cc(CCO)cc(C)c2O)c2ccnc3ccccc23)c1O
InChIInChI=1S/C28H29NO4/c1-17-13-19(8-11-30)15-23(27(17)32)26(22-7-10-29-25-6-4-3-5-21(22)25)24-16-20(9-12-31)14-18(2)28(24)33/h3-7,10,13-16,26,30-33H,8-9,11-12H2,1-2H3
InChIKeyVABBJZNUZNBCAW-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.51
Rot. Bonds7

About 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol

4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol (PubChem CID 21040728) has the molecular formula C28H29NO4 and a molecular weight of 443.54 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol
PubChem CID21040728
Molecular FormulaC28H29NO4
Molecular Weight443.54 g/mol
Exact Mass443.21
IUPAC Name4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol
SMILESCc1cc(CCO)cc(C(c2cc(CCO)cc(C)c2O)c2ccnc3ccccc23)c1O
InChIInChI=1S/C28H29NO4/c1-17-13-19(8-11-30)15-23(27(17)32)26(22-7-10-29-25-6-4-3-5-21(22)25)24-16-20(9-12-31)14-18(2)28(24)33/h3-7,10,13-16,26,30-33H,8-9,11-12H2,1-2H3
InChIKeyVABBJZNUZNBCAW-UHFFFAOYSA-N
XLogP4.51
TPSA93.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol with MolForge

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Related Compounds

4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol
CID 23520906
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
CID 160608048
CID 160608048
(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride
CID 171217020
2-(2-methylphenyl)-1-quinolin-4-ylethanol
CID 63893794
2-quinolin-4-ylpropanoic acid
CID 127018626
3-amino-2-quinolin-4-ylpropan-1-ol
CID 63215939
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624
(4-propylphenyl)-quinolin-4-ylmethanamine
CID 105144415
(1S)-1-quinolin-4-ylhexan-1-amine;hydrochloride
CID 171236625
3-methyl-1-quinolin-4-ylpentan-1-ol
CID 65149770
2-[propan-2-yl(quinolin-4-yl)amino]ethanol
CID 61339739

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol?
The IUPAC name of 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol (CID 21040728) is 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol.
What is the SMILES notation for 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol?
The canonical SMILES for 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol is Cc1cc(CCO)cc(C(c2cc(CCO)cc(C)c2O)c2ccnc3ccccc23)c1O.
What is the InChIKey of 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol?
The InChIKey is VABBJZNUZNBCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO4/c1-17-13-19(8-11-30)15-23(27(17)32)26(22-7-10-29-25-6-4-3-5-21(22)25)24-16-20(9-12-31)14-18(2)28(24)33/h3-7,10,13-16,26,30-33H,8-9,11-12H2,1-2H3.
What are the key properties of 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol?
4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol has a molecular weight of 443.54 g/mol, XLogP of 4.51, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-quinolin-4-ylmethyl]-6-methylphenol is sourced from PubChem (CID 21040728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).