6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one

C19H19ClN2O2 — CID 118724937

IUPAC6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(C)c(-c3ccc(N(C)C)cc3)c(=O)c2cc1Cl
InChIInChI=1S/C19H19ClN2O2/c1-11-18(12-5-7-13(8-6-12)22(2)3)19(23)14-9-15(20)17(24-4)10-16(14)21-11/h5-10H,1-4H3,(H,21,23)
InChIKeyDXIFXCLWIVKEQH-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.23
Rot. Bonds3

About 6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one

6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one (PubChem CID 118724937) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
PubChem CID118724937
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(C)c(-c3ccc(N(C)C)cc3)c(=O)c2cc1Cl
InChIInChI=1S/C19H19ClN2O2/c1-11-18(12-5-7-13(8-6-12)22(2)3)19(23)14-9-15(20)17(24-4)10-16(14)21-11/h5-10H,1-4H3,(H,21,23)
InChIKeyDXIFXCLWIVKEQH-UHFFFAOYSA-N
XLogP4.23
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide
CID 118724938
6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one
CID 118724924
6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
CID 170432317
6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 107622842
6-fluoro-7-methoxy-2-methyl-3-[4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenyl]-1H-quinolin-4-one
CID 175972232
6-fluoro-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinolin-4-one
CID 86573311
3-chloro-2-methoxy-6-methyl-9H-carbazole
CID 155477341
6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one
CID 134910353
6-chloro-1-hydroxy-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]quinolin-4-one
CID 170432119
3-(6-chloro-5-methoxy-2-methyl-1H-indol-3-yl)propanoic acid
CID 82501837
2-(6-chloro-5-methoxy-2-methyl-1H-indol-3-yl)acetonitrile
CID 82496487
4-methoxy-3-(4-methoxyphenyl)-2-methyl-1H-indole
CID 13415856

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one?
The IUPAC name of 6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one (CID 118724937) is 6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one is COc1cc2[nH]c(C)c(-c3ccc(N(C)C)cc3)c(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one?
The InChIKey is DXIFXCLWIVKEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-11-18(12-5-7-13(8-6-12)22(2)3)19(23)14-9-15(20)17(24-4)10-16(14)21-11/h5-10H,1-4H3,(H,21,23).
What are the key properties of 6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one?
6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one has a molecular weight of 342.83 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 118724937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).