4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one

C21H23NO2 — CID 39768022

IUPAC4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
SMILESCc1ccc(OCCCCn2c(=O)cc(C)c3ccccc32)cc1
InChIInChI=1S/C21H23NO2/c1-16-9-11-18(12-10-16)24-14-6-5-13-22-20-8-4-3-7-19(20)17(2)15-21(22)23/h3-4,7-12,15H,5-6,13-14H2,1-2H3
InChIKeyZXRWJZFSBYLNLZ-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.48
Rot. Bonds6

About 4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one

4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one (PubChem CID 39768022) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one.

Molecular Properties

Compound Name4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
PubChem CID39768022
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
SMILESCc1ccc(OCCCCn2c(=O)cc(C)c3ccccc32)cc1
InChIInChI=1S/C21H23NO2/c1-16-9-11-18(12-10-16)24-14-6-5-13-22-20-8-4-3-7-19(20)17(2)15-21(22)23/h3-4,7-12,15H,5-6,13-14H2,1-2H3
InChIKeyZXRWJZFSBYLNLZ-UHFFFAOYSA-N
XLogP4.48
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.48
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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Related Compounds

1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one
CID 39768018
4,8-dimethyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
CID 39768203
1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one
CID 39768066
1-[4-(4-methylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18802300
4,6,8-trimethyl-1-(4-phenoxybutyl)quinolin-2-one
CID 39768400
4-methyl-1-(3-oxobutyl)quinolin-2-one
CID 919960
2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid
CID 58948597
1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol
CID 135575003
1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 21380816
4-(4-carbazol-9-ylbutoxy)benzoic acid
CID 11631838
methyl 2-(4-methyl-2-oxoquinolin-1-yl)acetate
CID 39767914
methyl 4-(4-carbazol-9-ylbutoxy)benzoate
CID 68934986

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one?
The IUPAC name of 4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one (CID 39768022) is 4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one.
What is the SMILES notation for 4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one?
The canonical SMILES for 4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one is Cc1ccc(OCCCCn2c(=O)cc(C)c3ccccc32)cc1.
What is the InChIKey of 4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one?
The InChIKey is ZXRWJZFSBYLNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-16-9-11-18(12-10-16)24-14-6-5-13-22-20-8-4-3-7-19(20)17(2)15-21(22)23/h3-4,7-12,15H,5-6,13-14H2,1-2H3.
What are the key properties of 4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one?
4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one has a molecular weight of 321.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one is sourced from PubChem (CID 39768022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).