4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol

C20H19NO3 — CID 170504904

IUPAC4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2cc(C3CC3)c3ccc(CO)cc3n2)ccc1O
InChIInChI=1S/C20H19NO3/c1-24-20-9-14(5-7-19(20)23)17-10-16(13-3-4-13)15-6-2-12(11-22)8-18(15)21-17/h2,5-10,13,22-23H,3-4,11H2,1H3
InChIKeyHDPRFBZYZINVRN-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.99
Rot. Bonds4

About 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol

4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol (PubChem CID 170504904) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol
PubChem CID170504904
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2cc(C3CC3)c3ccc(CO)cc3n2)ccc1O
InChIInChI=1S/C20H19NO3/c1-24-20-9-14(5-7-19(20)23)17-10-16(13-3-4-13)15-6-2-12(11-22)8-18(15)21-17/h2,5-10,13,22-23H,3-4,11H2,1H3
InChIKeyHDPRFBZYZINVRN-UHFFFAOYSA-N
XLogP3.99
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide
CID 170510978
[4-(4-methoxyquinolin-2-yl)phenyl]methanol
CID 46933322
4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175343133
7-chloro-4-cyclopropyl-2-(2-methoxypyrimidin-5-yl)quinoline
CID 170502432
butanedioic acid;4-(hydroxymethyl)-2-methoxyphenol
CID 174397560
4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane
CID 66600810
acetic acid;butane-2,3-dione;4-(hydroxymethyl)-2-methoxyphenol
CID 175343442
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid)
CID 118541193
5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol
CID 134130870
4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane
CID 66731296

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol (CID 170504904) is 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol is COc1cc(-c2cc(C3CC3)c3ccc(CO)cc3n2)ccc1O.
What is the InChIKey of 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol?
The InChIKey is HDPRFBZYZINVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-24-20-9-14(5-7-19(20)23)17-10-16(13-3-4-13)15-6-2-12(11-22)8-18(15)21-17/h2,5-10,13,22-23H,3-4,11H2,1H3.
What are the key properties of 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol?
4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol has a molecular weight of 321.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 170504904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).