6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one

C17H15ClN2O — CID 3446328

IUPAC6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one
SMILESCN(C)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H15ClN2O/c1-20(2)16-15(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)19-17(16)21/h3-10H,1-2H3,(H,19,21)
InChIKeyVJKRHGZPBZSGLO-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.91
Rot. Bonds2

About 6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one

6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one (PubChem CID 3446328) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one
PubChem CID3446328
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one
SMILESCN(C)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H15ClN2O/c1-20(2)16-15(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)19-17(16)21/h3-10H,1-2H3,(H,19,21)
InChIKeyVJKRHGZPBZSGLO-UHFFFAOYSA-N
XLogP3.91
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one (CID 3446328) is 6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one is CN(C)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one?
The InChIKey is VJKRHGZPBZSGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-20(2)16-15(11-6-4-3-5-7-11)13-10-12(18)8-9-14(13)19-17(16)21/h3-10H,1-2H3,(H,19,21).
What are the key properties of 6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one?
6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one has a molecular weight of 298.77 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 3446328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).