4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one

C17H15ClN2O — CID 3240918

IUPAC4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one
SMILESCN(c1ccc(Cl)cc1)c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C17H15ClN2O/c1-19(13-9-7-12(18)8-10-13)16-11-17(21)20(2)15-6-4-3-5-14(15)16/h3-11H,1-2H3
InChIKeyDHDOWUOHOGOIBR-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.96
Rot. Bonds2

About 4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one

4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one (PubChem CID 3240918) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one
PubChem CID3240918
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one
SMILESCN(c1ccc(Cl)cc1)c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C17H15ClN2O/c1-19(13-9-7-12(18)8-10-13)16-11-17(21)20(2)15-6-4-3-5-14(15)16/h3-11H,1-2H3
InChIKeyDHDOWUOHOGOIBR-UHFFFAOYSA-N
XLogP3.96
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one?
The IUPAC name of 4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one (CID 3240918) is 4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one.
What is the SMILES notation for 4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one?
The canonical SMILES for 4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one is CN(c1ccc(Cl)cc1)c1cc(=O)n(C)c2ccccc12.
What is the InChIKey of 4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one?
The InChIKey is DHDOWUOHOGOIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-19(13-9-7-12(18)8-10-13)16-11-17(21)20(2)15-6-4-3-5-14(15)16/h3-11H,1-2H3.
What are the key properties of 4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one?
4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one has a molecular weight of 298.77 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one is sourced from PubChem (CID 3240918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).