6,7-dimethyl-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one

C20H23NO2 — CID 2906028

IUPAC6,7-dimethyl-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)C(c1ccccc1OC(C)C)CC(=O)N2
InChIInChI=1S/C20H23NO2/c1-12(2)23-19-8-6-5-7-15(19)16-11-20(22)21-18-10-14(4)13(3)9-17(16)18/h5-10,12,16H,11H2,1-4H3,(H,21,22)
InChIKeyZGEAMHLCJOKIGE-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.56
Rot. Bonds3

About 6,7-dimethyl-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one

6,7-dimethyl-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2906028) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 6,7-dimethyl-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethyl-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID2906028
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name6,7-dimethyl-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1C)C(c1ccccc1OC(C)C)CC(=O)N2
InChIInChI=1S/C20H23NO2/c1-12(2)23-19-8-6-5-7-15(19)16-11-20(22)21-18-10-14(4)13(3)9-17(16)18/h5-10,12,16H,11H2,1-4H3,(H,21,22)
InChIKeyZGEAMHLCJOKIGE-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.56
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-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethyl-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one (CID 2906028) is 6,7-dimethyl-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethyl-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethyl-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(cc1C)C(c1ccccc1OC(C)C)CC(=O)N2.
What is the InChIKey of 6,7-dimethyl-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZGEAMHLCJOKIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-12(2)23-19-8-6-5-7-15(19)16-11-20(22)21-18-10-14(4)13(3)9-17(16)18/h5-10,12,16H,11H2,1-4H3,(H,21,22).
What are the key properties of 6,7-dimethyl-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
6,7-dimethyl-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 309.41 g/mol, XLogP of 4.56, 3 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-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2906028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).