cyclopropyl-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C19H19NO3 — CID 25028125

IUPACcyclopropyl-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(C1CC1)N1CC(c2ccc(O)cc2)Cc2ccc(O)cc21
InChIInChI=1S/C19H19NO3/c21-16-6-3-12(4-7-16)15-9-14-5-8-17(22)10-18(14)20(11-15)19(23)13-1-2-13/h3-8,10,13,15,21-22H,1-2,9,11H2
InChIKeyGJPLDZSQMPJOCI-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.18
Rot. Bonds2

About cyclopropyl-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

cyclopropyl-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 25028125) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is cyclopropyl-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID25028125
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namecyclopropyl-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(C1CC1)N1CC(c2ccc(O)cc2)Cc2ccc(O)cc21
InChIInChI=1S/C19H19NO3/c21-16-6-3-12(4-7-16)15-9-14-5-8-17(22)10-18(14)20(11-15)19(23)13-1-2-13/h3-8,10,13,15,21-22H,1-2,9,11H2
InChIKeyGJPLDZSQMPJOCI-UHFFFAOYSA-N
XLogP3.18
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of cyclopropyl-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 25028125) is cyclopropyl-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is O=C(C1CC1)N1CC(c2ccc(O)cc2)Cc2ccc(O)cc21.
What is the InChIKey of cyclopropyl-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is GJPLDZSQMPJOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-16-6-3-12(4-7-16)15-9-14-5-8-17(22)10-18(14)20(11-15)19(23)13-1-2-13/h3-8,10,13,15,21-22H,1-2,9,11H2.
What are the key properties of cyclopropyl-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
cyclopropyl-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 309.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 25028125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).