4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide

C23H24N2O4 — CID 110415351

IUPAC4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCCc2cc3cc(C)ccc3[nH]c2=O)cc1
InChIInChI=1S/C23H24N2O4/c1-15-3-8-20-18(13-15)14-17(23(28)25-20)11-12-24-22(27)10-9-21(26)16-4-6-19(29-2)7-5-16/h3-8,13-14H,9-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJOJVKVWTHHQTTF-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.17
Rot. Bonds8

About 4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide

4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide (PubChem CID 110415351) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
PubChem CID110415351
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCCc2cc3cc(C)ccc3[nH]c2=O)cc1
InChIInChI=1S/C23H24N2O4/c1-15-3-8-20-18(13-15)14-17(23(28)25-20)11-12-24-22(27)10-9-21(26)16-4-6-19(29-2)7-5-16/h3-8,13-14H,9-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJOJVKVWTHHQTTF-UHFFFAOYSA-N
XLogP3.17
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
CID 110415264
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326012
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110325904
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039
N-[2-(4-methoxyphenyl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331176
3-(furan-2-yl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110413804
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453430
4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110662798
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418808
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110616824
2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136774

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide (CID 110415351) is 4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)NCCc2cc3cc(C)ccc3[nH]c2=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide?
The InChIKey is JOJVKVWTHHQTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-3-8-20-18(13-15)14-17(23(28)25-20)11-12-24-22(27)10-9-21(26)16-4-6-19(29-2)7-5-16/h3-8,13-14H,9-12H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide?
4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide has a molecular weight of 392.46 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide is sourced from PubChem (CID 110415351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).