2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate

C15H16ClNO2 — CID 174643820

IUPAC2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate
SMILESCC(C)c1cccc2c(Cl)c(CCOC=O)cnc12
InChIInChI=1S/C15H16ClNO2/c1-10(2)12-4-3-5-13-14(16)11(6-7-19-9-18)8-17-15(12)13/h3-5,8-10H,6-7H2,1-2H3
InChIKeyOAJPHMWXHOFOSW-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.73
Rot. Bonds5

About 2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate

2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate (PubChem CID 174643820) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate.

Molecular Properties

Compound Name2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate
PubChem CID174643820
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate
SMILESCC(C)c1cccc2c(Cl)c(CCOC=O)cnc12
InChIInChI=1S/C15H16ClNO2/c1-10(2)12-4-3-5-13-14(16)11(6-7-19-9-18)8-17-15(12)13/h3-5,8-10H,6-7H2,1-2H3
InChIKeyOAJPHMWXHOFOSW-UHFFFAOYSA-N
XLogP3.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate?
The IUPAC name of 2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate (CID 174643820) is 2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate.
What is the SMILES notation for 2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate?
The canonical SMILES for 2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate is CC(C)c1cccc2c(Cl)c(CCOC=O)cnc12.
What is the InChIKey of 2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate?
The InChIKey is OAJPHMWXHOFOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10(2)12-4-3-5-13-14(16)11(6-7-19-9-18)8-17-15(12)13/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate?
2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate has a molecular weight of 277.75 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-8-propan-2-ylquinolin-3-yl)ethyl formate is sourced from PubChem (CID 174643820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).