1-ethyl-3-methyl-2-phenyl-7-propan-2-ylquinolin-4-one

C21H23NO — CID 516410

IUPAC1-ethyl-3-methyl-2-phenyl-7-propan-2-ylquinolin-4-one
SMILESCCn1c(-c2ccccc2)c(C)c(=O)c2ccc(C(C)C)cc21
InChIInChI=1S/C21H23NO/c1-5-22-19-13-17(14(2)3)11-12-18(19)21(23)15(4)20(22)16-9-7-6-8-10-16/h6-14H,5H2,1-4H3
InChIKeyMBIXVNAHKPHNBK-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.12
Rot. Bonds3

About 1-ethyl-3-methyl-2-phenyl-7-propan-2-ylquinolin-4-one

1-ethyl-3-methyl-2-phenyl-7-propan-2-ylquinolin-4-one (PubChem CID 516410) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-phenyl-7-propan-2-ylquinolin-4-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-phenyl-7-propan-2-ylquinolin-4-one
PubChem CID516410
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name1-ethyl-3-methyl-2-phenyl-7-propan-2-ylquinolin-4-one
SMILESCCn1c(-c2ccccc2)c(C)c(=O)c2ccc(C(C)C)cc21
InChIInChI=1S/C21H23NO/c1-5-22-19-13-17(14(2)3)11-12-18(19)21(23)15(4)20(22)16-9-7-6-8-10-16/h6-14H,5H2,1-4H3
InChIKeyMBIXVNAHKPHNBK-UHFFFAOYSA-N
XLogP5.12
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-phenyl-7-propan-2-ylquinolin-4-one?
The IUPAC name of 1-ethyl-3-methyl-2-phenyl-7-propan-2-ylquinolin-4-one (CID 516410) is 1-ethyl-3-methyl-2-phenyl-7-propan-2-ylquinolin-4-one.
What is the SMILES notation for 1-ethyl-3-methyl-2-phenyl-7-propan-2-ylquinolin-4-one?
The canonical SMILES for 1-ethyl-3-methyl-2-phenyl-7-propan-2-ylquinolin-4-one is CCn1c(-c2ccccc2)c(C)c(=O)c2ccc(C(C)C)cc21.
What is the InChIKey of 1-ethyl-3-methyl-2-phenyl-7-propan-2-ylquinolin-4-one?
The InChIKey is MBIXVNAHKPHNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-5-22-19-13-17(14(2)3)11-12-18(19)21(23)15(4)20(22)16-9-7-6-8-10-16/h6-14H,5H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-2-phenyl-7-propan-2-ylquinolin-4-one?
1-ethyl-3-methyl-2-phenyl-7-propan-2-ylquinolin-4-one has a molecular weight of 305.42 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2-phenyl-7-propan-2-ylquinolin-4-one is sourced from PubChem (CID 516410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).