6-chloro-1-ethyl-3-quinolin-2-ylquinolin-2-one

C20H15ClN2O — CID 715498

IUPAC6-chloro-1-ethyl-3-quinolin-2-ylquinolin-2-one
SMILESCCn1c(=O)c(-c2ccc3ccccc3n2)cc2cc(Cl)ccc21
InChIInChI=1S/C20H15ClN2O/c1-2-23-19-10-8-15(21)11-14(19)12-16(20(23)24)18-9-7-13-5-3-4-6-17(13)22-18/h3-12H,2H2,1H3
InChIKeyDWWSVMWTENFSPG-UHFFFAOYSA-N
MW334.81 g/mol
LogP4.89
Rot. Bonds2

About 6-chloro-1-ethyl-3-quinolin-2-ylquinolin-2-one

6-chloro-1-ethyl-3-quinolin-2-ylquinolin-2-one (PubChem CID 715498) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is 6-chloro-1-ethyl-3-quinolin-2-ylquinolin-2-one.

Molecular Properties

Compound Name6-chloro-1-ethyl-3-quinolin-2-ylquinolin-2-one
PubChem CID715498
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name6-chloro-1-ethyl-3-quinolin-2-ylquinolin-2-one
SMILESCCn1c(=O)c(-c2ccc3ccccc3n2)cc2cc(Cl)ccc21
InChIInChI=1S/C20H15ClN2O/c1-2-23-19-10-8-15(21)11-14(19)12-16(20(23)24)18-9-7-13-5-3-4-6-17(13)22-18/h3-12H,2H2,1H3
InChIKeyDWWSVMWTENFSPG-UHFFFAOYSA-N
XLogP4.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-3-quinolin-2-ylquinolin-2-one?
The IUPAC name of 6-chloro-1-ethyl-3-quinolin-2-ylquinolin-2-one (CID 715498) is 6-chloro-1-ethyl-3-quinolin-2-ylquinolin-2-one.
What is the SMILES notation for 6-chloro-1-ethyl-3-quinolin-2-ylquinolin-2-one?
The canonical SMILES for 6-chloro-1-ethyl-3-quinolin-2-ylquinolin-2-one is CCn1c(=O)c(-c2ccc3ccccc3n2)cc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-ethyl-3-quinolin-2-ylquinolin-2-one?
The InChIKey is DWWSVMWTENFSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O/c1-2-23-19-10-8-15(21)11-14(19)12-16(20(23)24)18-9-7-13-5-3-4-6-17(13)22-18/h3-12H,2H2,1H3.
What are the key properties of 6-chloro-1-ethyl-3-quinolin-2-ylquinolin-2-one?
6-chloro-1-ethyl-3-quinolin-2-ylquinolin-2-one has a molecular weight of 334.81 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-3-quinolin-2-ylquinolin-2-one is sourced from PubChem (CID 715498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).