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

C23H26N2O3 — CID 110616089

IUPACN-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
SMILESCOc1ccccc1CCCCNC(=O)Cc1ccc2[nH]c(=O)c(C)cc2c1
InChIInChI=1S/C23H26N2O3/c1-16-13-19-14-17(10-11-20(19)25-23(16)27)15-22(26)24-12-6-5-8-18-7-3-4-9-21(18)28-2/h3-4,7,9-11,13-14H,5-6,8,12,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyXQNOJZBMUCWIOQ-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.53
Rot. Bonds8

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

N-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide (PubChem CID 110616089) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
PubChem CID110616089
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
SMILESCOc1ccccc1CCCCNC(=O)Cc1ccc2[nH]c(=O)c(C)cc2c1
InChIInChI=1S/C23H26N2O3/c1-16-13-19-14-17(10-11-20(19)25-23(16)27)15-22(26)24-12-6-5-8-18-7-3-4-9-21(18)28-2/h3-4,7,9-11,13-14H,5-6,8,12,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyXQNOJZBMUCWIOQ-UHFFFAOYSA-N
XLogP3.53
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide
CID 110666107
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666083
N-[(2-methoxyphenyl)methyl]-2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetamide
CID 110675548
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666084
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110311153
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100717544
N-(2-bromophenyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110300601
2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113199035
2-(2-ethyl-3H-benzimidazol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110772738
3,5-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666082

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
The IUPAC name of N-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide (CID 110616089) is N-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide is COc1ccccc1CCCCNC(=O)Cc1ccc2[nH]c(=O)c(C)cc2c1.
What is the InChIKey of N-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
The InChIKey is XQNOJZBMUCWIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16-13-19-14-17(10-11-20(19)25-23(16)27)15-22(26)24-12-6-5-8-18-7-3-4-9-21(18)28-2/h3-4,7,9-11,13-14H,5-6,8,12,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
N-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide has a molecular weight of 378.47 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide is sourced from PubChem (CID 110616089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).