methyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate

C18H19NO3 — CID 130366950

IUPACmethyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate
SMILESCOC(=O)c1cccc(C2CCc3cc(O)ccc3N2C)c1
InChIInChI=1S/C18H19NO3/c1-19-16(8-6-13-11-15(20)7-9-17(13)19)12-4-3-5-14(10-12)18(21)22-2/h3-5,7,9-11,16,20H,6,8H2,1-2H3
InChIKeyPQQVAACAXZKSHE-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.30
Rot. Bonds2

About methyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate

methyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate (PubChem CID 130366950) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate
PubChem CID130366950
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate
SMILESCOC(=O)c1cccc(C2CCc3cc(O)ccc3N2C)c1
InChIInChI=1S/C18H19NO3/c1-19-16(8-6-13-11-15(20)7-9-17(13)19)12-4-3-5-14(10-12)18(21)22-2/h3-5,7,9-11,16,20H,6,8H2,1-2H3
InChIKeyPQQVAACAXZKSHE-UHFFFAOYSA-N
XLogP3.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate?
The IUPAC name of methyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate (CID 130366950) is methyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate.
What is the SMILES notation for methyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate?
The canonical SMILES for methyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate is COC(=O)c1cccc(C2CCc3cc(O)ccc3N2C)c1.
What is the InChIKey of methyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate?
The InChIKey is PQQVAACAXZKSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-19-16(8-6-13-11-15(20)7-9-17(13)19)12-4-3-5-14(10-12)18(21)22-2/h3-5,7,9-11,16,20H,6,8H2,1-2H3.
What are the key properties of methyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate?
methyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)benzoate is sourced from PubChem (CID 130366950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).