2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide

C32H24ClF3N2O4 — CID 58263551

IUPAC2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(NC(=O)CCl)c(C(F)(F)F)c5)cccc34)ccnc2cc1C
InChIInChI=1S/C32H24ClF3N2O4/c1-18-13-26-23(16-30(18)41-2)29(11-12-37-26)42-28-8-4-5-20-21(6-3-7-22(20)28)27(39)15-19-9-10-25(38-31(40)17-33)24(14-19)32(34,35)36/h3-14,16H,15,17H2,1-2H3,(H,38,40)
InChIKeyBYDAJMGPOLTSBR-UHFFFAOYSA-N
MW593.00 g/mol
LogP8.12
Rot. Bonds8

About 2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide

2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 58263551) has the molecular formula C32H24ClF3N2O4 and a molecular weight of 593.00 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide
PubChem CID58263551
Molecular FormulaC32H24ClF3N2O4
Molecular Weight593.00 g/mol
Exact Mass592.14
IUPAC Name2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(NC(=O)CCl)c(C(F)(F)F)c5)cccc34)ccnc2cc1C
InChIInChI=1S/C32H24ClF3N2O4/c1-18-13-26-23(16-30(18)41-2)29(11-12-37-26)42-28-8-4-5-20-21(6-3-7-22(20)28)27(39)15-19-9-10-25(38-31(40)17-33)24(14-19)32(34,35)36/h3-14,16H,15,17H2,1-2H3,(H,38,40)
InChIKeyBYDAJMGPOLTSBR-UHFFFAOYSA-N
XLogP8.12
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.00
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]-1-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]ethanone
CID 58264131
4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
CID 167533681
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-[2-(trifluoromethyl)phenyl]pentane-2,4-dione
CID 58249411
2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 43697093
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
CID 167695764
1-N-[4-[7-[(2-chloroacetyl)amino]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 172510100
N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide
CID 143025933
N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167674859
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
CID 175032455
4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
CID 167645967
N'-(2,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]propanediamide
CID 59791951
2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 83315794

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide (CID 58263551) is 2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide is COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(NC(=O)CCl)c(C(F)(F)F)c5)cccc34)ccnc2cc1C.
What is the InChIKey of 2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BYDAJMGPOLTSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24ClF3N2O4/c1-18-13-26-23(16-30(18)41-2)29(11-12-37-26)42-28-8-4-5-20-21(6-3-7-22(20)28)27(39)15-19-9-10-25(38-31(40)17-33)24(14-19)32(34,35)36/h3-14,16H,15,17H2,1-2H3,(H,38,40).
What are the key properties of 2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide?
2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 593.00 g/mol, XLogP of 8.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 58263551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).