4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one

C22H25NO2 — CID 39768203

IUPAC4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
SMILESCc1ccc(OCCCCn2c(=O)cc(C)c3cccc(C)c32)cc1
InChIInChI=1S/C22H25NO2/c1-16-9-11-19(12-10-16)25-14-5-4-13-23-21(24)15-18(3)20-8-6-7-17(2)22(20)23/h6-12,15H,4-5,13-14H2,1-3H3
InChIKeyCBTIBEVYKFIXHE-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.79
Rot. Bonds6

About 4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one

4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one (PubChem CID 39768203) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one.

Molecular Properties

Compound Name4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
PubChem CID39768203
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
SMILESCc1ccc(OCCCCn2c(=O)cc(C)c3cccc(C)c32)cc1
InChIInChI=1S/C22H25NO2/c1-16-9-11-19(12-10-16)25-14-5-4-13-23-21(24)15-18(3)20-8-6-7-17(2)22(20)23/h6-12,15H,4-5,13-14H2,1-3H3
InChIKeyCBTIBEVYKFIXHE-UHFFFAOYSA-N
XLogP4.79
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one?
The IUPAC name of 4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one (CID 39768203) is 4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one.
What is the SMILES notation for 4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one?
The canonical SMILES for 4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one is Cc1ccc(OCCCCn2c(=O)cc(C)c3cccc(C)c32)cc1.
What is the InChIKey of 4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one?
The InChIKey is CBTIBEVYKFIXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-16-9-11-19(12-10-16)25-14-5-4-13-23-21(24)15-18(3)20-8-6-7-17(2)22(20)23/h6-12,15H,4-5,13-14H2,1-3H3.
What are the key properties of 4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one?
4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one has a molecular weight of 335.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one is sourced from PubChem (CID 39768203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).