3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one

C19H19NO — CID 104845936

IUPAC3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one
SMILESCCCc1cccc2c(=O)c(C)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C19H19NO/c1-3-8-14-11-7-12-16-18(14)20-17(13(2)19(16)21)15-9-5-4-6-10-15/h4-7,9-12H,3,8H2,1-2H3,(H,20,21)
InChIKeyCCJOTSFFOUYHGG-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.46
Rot. Bonds3

About 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one

3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one (PubChem CID 104845936) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one
PubChem CID104845936
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one
SMILESCCCc1cccc2c(=O)c(C)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C19H19NO/c1-3-8-14-11-7-12-16-18(14)20-17(13(2)19(16)21)15-9-5-4-6-10-15/h4-7,9-12H,3,8H2,1-2H3,(H,20,21)
InChIKeyCCJOTSFFOUYHGG-UHFFFAOYSA-N
XLogP4.46
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one (CID 104845936) is 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one is CCCc1cccc2c(=O)c(C)c(-c3ccccc3)[nH]c12.
What is the InChIKey of 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one?
The InChIKey is CCJOTSFFOUYHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-3-8-14-11-7-12-16-18(14)20-17(13(2)19(16)21)15-9-5-4-6-10-15/h4-7,9-12H,3,8H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one?
3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one has a molecular weight of 277.37 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-8-propyl-1H-quinolin-4-one is sourced from PubChem (CID 104845936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).