propan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate

C16H19NO2 — CID 160727618

IUPACpropan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate
SMILESCc1ccc2ncc(CC(=O)OC(C)C)c(C)c2c1
InChIInChI=1S/C16H19NO2/c1-10(2)19-16(18)8-13-9-17-15-6-5-11(3)7-14(15)12(13)4/h5-7,9-10H,8H2,1-4H3
InChIKeyDREOEMIMAINGAY-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.35
Rot. Bonds3

About propan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate

propan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate (PubChem CID 160727618) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is propan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate
PubChem CID160727618
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namepropan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate
SMILESCc1ccc2ncc(CC(=O)OC(C)C)c(C)c2c1
InChIInChI=1S/C16H19NO2/c1-10(2)19-16(18)8-13-9-17-15-6-5-11(3)7-14(15)12(13)4/h5-7,9-10H,8H2,1-4H3
InChIKeyDREOEMIMAINGAY-UHFFFAOYSA-N
XLogP3.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-6-methylquinolin-3-yl)acetic acid
CID 84699091
propan-2-yl 2-(6-methyl-2H-indazol-3-yl)acetate
CID 170985533
propan-2-yl 2-[methyl-(6-methylquinazolin-4-yl)amino]propanoate
CID 133443423
propan-2-yl 2-(5-methyl-3H-isoindol-1-yl)acetate
CID 158079231
propan-2-yl 2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetate
CID 21136124
propan-2-yl 3-(2,5-dimethylphenoxy)propanoate
CID 112722920
propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
CID 54942552
propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 54941393
(2,7-dimethyl-10-propan-2-yloxycarbonyloxyanthracen-9-yl) propan-2-yl carbonate
CID 135239669
4-chloro-3-(2-chloroethyl)-6-methylquinoline
CID 817864
propan-2-yl 2-(6-iodo-3-pyridinyl)acetate
CID 133059735
propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600366

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate?
The IUPAC name of propan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate (CID 160727618) is propan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate?
The canonical SMILES for propan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate is Cc1ccc2ncc(CC(=O)OC(C)C)c(C)c2c1.
What is the InChIKey of propan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate?
The InChIKey is DREOEMIMAINGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10(2)19-16(18)8-13-9-17-15-6-5-11(3)7-14(15)12(13)4/h5-7,9-10H,8H2,1-4H3.
What are the key properties of propan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate?
propan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate has a molecular weight of 257.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate is sourced from PubChem (CID 160727618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).