methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate

C20H19NO2 — CID 23202313

IUPACmethyl 3-(6-propan-2-ylquinolin-8-yl)benzoate
SMILESCOC(=O)c1cccc(-c2cc(C(C)C)cc3cccnc23)c1
InChIInChI=1S/C20H19NO2/c1-13(2)17-11-15-8-5-9-21-19(15)18(12-17)14-6-4-7-16(10-14)20(22)23-3/h4-13H,1-3H3
InChIKeyUKYYOBJIJJKTGD-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.81
Rot. Bonds3

About methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate

methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate (PubChem CID 23202313) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(6-propan-2-ylquinolin-8-yl)benzoate
PubChem CID23202313
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Namemethyl 3-(6-propan-2-ylquinolin-8-yl)benzoate
SMILESCOC(=O)c1cccc(-c2cc(C(C)C)cc3cccnc23)c1
InChIInChI=1S/C20H19NO2/c1-13(2)17-11-15-8-5-9-21-19(15)18(12-17)14-6-4-7-16(10-14)20(22)23-3/h4-13H,1-3H3
InChIKeyUKYYOBJIJJKTGD-UHFFFAOYSA-N
XLogP4.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-quinolin-8-ylbenzoate
CID 4189037
8-phenyl-6-propan-2-ylquinoline
CID 15295265
4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]benzoic acid
CID 10309647
propan-2-yl 4-[[3-(6-propan-2-ylquinolin-8-yl)phenyl]methoxy]benzoate
CID 69019756
8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride
CID 19381182
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
8-[3-(phenylsulfanylmethyl)phenyl]-6-propan-2-ylquinoline
CID 10215723
4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline
CID 142806094
(E)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-2-pyridin-4-yl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 22083654
8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline
CID 22083734
2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine
CID 67565105
methyl 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-[4-(thiadiazol-5-yl)cyclohexa-1,5-dien-1-yl]propanoate
CID 67564712

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate?
The IUPAC name of methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate (CID 23202313) is methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate.
What is the SMILES notation for methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate?
The canonical SMILES for methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate is COC(=O)c1cccc(-c2cc(C(C)C)cc3cccnc23)c1.
What is the InChIKey of methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate?
The InChIKey is UKYYOBJIJJKTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13(2)17-11-15-8-5-9-21-19(15)18(12-17)14-6-4-7-16(10-14)20(22)23-3/h4-13H,1-3H3.
What are the key properties of methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate?
methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate has a molecular weight of 305.38 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate is sourced from PubChem (CID 23202313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).