8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one

C20H21NO3 — CID 110635326

IUPAC8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(C(=O)c1ccc(C(C)C)cc1)CCC2=O
InChIInChI=1S/C20H21NO3/c1-13(2)14-7-9-15(10-8-14)20(23)21-12-11-17(22)16-5-4-6-18(24-3)19(16)21/h4-10,13H,11-12H2,1-3H3
InChIKeyVUVJNKJDSMASIA-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.05
Rot. Bonds3

About 8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one

8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one (PubChem CID 110635326) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one
PubChem CID110635326
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(C(=O)c1ccc(C(C)C)cc1)CCC2=O
InChIInChI=1S/C20H21NO3/c1-13(2)14-7-9-15(10-8-14)20(23)21-12-11-17(22)16-5-4-6-18(24-3)19(16)21/h4-10,13H,11-12H2,1-3H3
InChIKeyVUVJNKJDSMASIA-UHFFFAOYSA-N
XLogP4.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one (CID 110635326) is 8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one is COc1cccc2c1N(C(=O)c1ccc(C(C)C)cc1)CCC2=O.
What is the InChIKey of 8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one?
The InChIKey is VUVJNKJDSMASIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-13(2)14-7-9-15(10-8-14)20(23)21-12-11-17(22)16-5-4-6-18(24-3)19(16)21/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one?
8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one has a molecular weight of 323.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).