2-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate

C16H18ClNO2 — CID 167151257

IUPAC2-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate
SMILESCc1nc2c(Cl)cccc2cc1CC(=O)OCC(C)C
InChIInChI=1S/C16H18ClNO2/c1-10(2)9-20-15(19)8-13-7-12-5-4-6-14(17)16(12)18-11(13)3/h4-7,10H,8-9H2,1-3H3
InChIKeyHQZJYCYXASXNLW-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.94
Rot. Bonds4

About 2-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate

2-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate (PubChem CID 167151257) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate
PubChem CID167151257
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate
SMILESCc1nc2c(Cl)cccc2cc1CC(=O)OCC(C)C
InChIInChI=1S/C16H18ClNO2/c1-10(2)9-20-15(19)8-13-7-12-5-4-6-14(17)16(12)18-11(13)3/h4-7,10H,8-9H2,1-3H3
InChIKeyHQZJYCYXASXNLW-UHFFFAOYSA-N
XLogP3.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate?
The IUPAC name of 2-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate (CID 167151257) is 2-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate.
What is the SMILES notation for 2-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate?
The canonical SMILES for 2-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate is Cc1nc2c(Cl)cccc2cc1CC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate?
The InChIKey is HQZJYCYXASXNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-10(2)9-20-15(19)8-13-7-12-5-4-6-14(17)16(12)18-11(13)3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 2-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate?
2-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate has a molecular weight of 291.78 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate is sourced from PubChem (CID 167151257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).