N-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide

C28H27FN2O3 — CID 158903832

IUPACN-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
SMILESCOc1ccc2cc(CCc3ccc(C)cc3)c(=O)n(CC(=O)NCc3ccc(F)cc3)c2c1
InChIInChI=1S/C28H27FN2O3/c1-19-3-5-20(6-4-19)7-10-23-15-22-11-14-25(34-2)16-26(22)31(28(23)33)18-27(32)30-17-21-8-12-24(29)13-9-21/h3-6,8-9,11-16H,7,10,17-18H2,1-2H3,(H,30,32)
InChIKeyJFUAGSMCWHUPBY-UHFFFAOYSA-N
MW458.53 g/mol
LogP4.56
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide (PubChem CID 158903832) has the molecular formula C28H27FN2O3 and a molecular weight of 458.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
PubChem CID158903832
Molecular FormulaC28H27FN2O3
Molecular Weight458.53 g/mol
Exact Mass458.20
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
SMILESCOc1ccc2cc(CCc3ccc(C)cc3)c(=O)n(CC(=O)NCc3ccc(F)cc3)c2c1
InChIInChI=1S/C28H27FN2O3/c1-19-3-5-20(6-4-19)7-10-23-15-22-11-14-25(34-2)16-26(22)31(28(23)33)18-27(32)30-17-21-8-12-24(29)13-9-21/h3-6,8-9,11-16H,7,10,17-18H2,1-2H3,(H,30,32)
InChIKeyJFUAGSMCWHUPBY-UHFFFAOYSA-N
XLogP4.56
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 161123821
N-(3,4-difluorophenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 159042001
N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 158474713
2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide
CID 16956575
2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide
CID 161401893
2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 160535192
N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 161418456
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 162004998
2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16956547
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 22429464
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
2-[6,7-dimethoxy-3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 160777515

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide (CID 158903832) is N-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide is COc1ccc2cc(CCc3ccc(C)cc3)c(=O)n(CC(=O)NCc3ccc(F)cc3)c2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide?
The InChIKey is JFUAGSMCWHUPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN2O3/c1-19-3-5-20(6-4-19)7-10-23-15-22-11-14-25(34-2)16-26(22)31(28(23)33)18-27(32)30-17-21-8-12-24(29)13-9-21/h3-6,8-9,11-16H,7,10,17-18H2,1-2H3,(H,30,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide has a molecular weight of 458.53 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 158903832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).