6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one

C21H25NO2 — CID 17122358

IUPAC6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)C(c1ccccc1OCC(C)C)CC(=O)N2
InChIInChI=1S/C21H25NO2/c1-13(2)12-24-20-8-6-5-7-16(20)17-11-21(23)22-19-10-15(4)14(3)9-18(17)19/h5-10,13,17H,11-12H2,1-4H3,(H,22,23)
InChIKeyCCWICMKBBFEPCP-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.81
Rot. Bonds4

About 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one

6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 17122358) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID17122358
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)C(c1ccccc1OCC(C)C)CC(=O)N2
InChIInChI=1S/C21H25NO2/c1-13(2)12-24-20-8-6-5-7-16(20)17-11-21(23)22-19-10-15(4)14(3)9-18(17)19/h5-10,13,17H,11-12H2,1-4H3,(H,22,23)
InChIKeyCCWICMKBBFEPCP-UHFFFAOYSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one (CID 17122358) is 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(cc1C)C(c1ccccc1OCC(C)C)CC(=O)N2.
What is the InChIKey of 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CCWICMKBBFEPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-13(2)12-24-20-8-6-5-7-16(20)17-11-21(23)22-19-10-15(4)14(3)9-18(17)19/h5-10,13,17H,11-12H2,1-4H3,(H,22,23).
What are the key properties of 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 323.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 17122358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).