1,4-dimethyl-6-(2-oxoquinolin-1-yl)-3,4-dihydroquinolin-2-one

C20H18N2O2 — CID 89445360

IUPAC1,4-dimethyl-6-(2-oxoquinolin-1-yl)-3,4-dihydroquinolin-2-one
SMILESCC1CC(=O)N(C)c2ccc(-n3c(=O)ccc4ccccc43)cc21
InChIInChI=1S/C20H18N2O2/c1-13-11-20(24)21(2)18-9-8-15(12-16(13)18)22-17-6-4-3-5-14(17)7-10-19(22)23/h3-10,12-13H,11H2,1-2H3
InChIKeyMLFOOSIEXIBTGR-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.46
Rot. Bonds1

About 1,4-dimethyl-6-(2-oxoquinolin-1-yl)-3,4-dihydroquinolin-2-one

1,4-dimethyl-6-(2-oxoquinolin-1-yl)-3,4-dihydroquinolin-2-one (PubChem CID 89445360) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1,4-dimethyl-6-(2-oxoquinolin-1-yl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-6-(2-oxoquinolin-1-yl)-3,4-dihydroquinolin-2-one
PubChem CID89445360
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1,4-dimethyl-6-(2-oxoquinolin-1-yl)-3,4-dihydroquinolin-2-one
SMILESCC1CC(=O)N(C)c2ccc(-n3c(=O)ccc4ccccc43)cc21
InChIInChI=1S/C20H18N2O2/c1-13-11-20(24)21(2)18-9-8-15(12-16(13)18)22-17-6-4-3-5-14(17)7-10-19(22)23/h3-10,12-13H,11H2,1-2H3
InChIKeyMLFOOSIEXIBTGR-UHFFFAOYSA-N
XLogP3.46
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-(2-oxoquinolin-1-yl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1,4-dimethyl-6-(2-oxoquinolin-1-yl)-3,4-dihydroquinolin-2-one (CID 89445360) is 1,4-dimethyl-6-(2-oxoquinolin-1-yl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1,4-dimethyl-6-(2-oxoquinolin-1-yl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1,4-dimethyl-6-(2-oxoquinolin-1-yl)-3,4-dihydroquinolin-2-one is CC1CC(=O)N(C)c2ccc(-n3c(=O)ccc4ccccc43)cc21.
What is the InChIKey of 1,4-dimethyl-6-(2-oxoquinolin-1-yl)-3,4-dihydroquinolin-2-one?
The InChIKey is MLFOOSIEXIBTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-13-11-20(24)21(2)18-9-8-15(12-16(13)18)22-17-6-4-3-5-14(17)7-10-19(22)23/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 1,4-dimethyl-6-(2-oxoquinolin-1-yl)-3,4-dihydroquinolin-2-one?
1,4-dimethyl-6-(2-oxoquinolin-1-yl)-3,4-dihydroquinolin-2-one has a molecular weight of 318.38 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-(2-oxoquinolin-1-yl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 89445360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).