N-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide

C22H20F2N2O2 — CID 155382115

IUPACN-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide
SMILESCc1cc2nccc(Oc3cc(F)c(NC(=O)C4(C)CC4)cc3F)c2cc1C
InChIInChI=1S/C22H20F2N2O2/c1-12-8-14-17(9-13(12)2)25-7-4-19(14)28-20-11-15(23)18(10-16(20)24)26-21(27)22(3)5-6-22/h4,7-11H,5-6H2,1-3H3,(H,26,27)
InChIKeyDMSONRKGNBBRJL-UHFFFAOYSA-N
MW382.41 g/mol
LogP5.66
Rot. Bonds4

About N-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide

N-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 155382115) has the molecular formula C22H20F2N2O2 and a molecular weight of 382.41 g/mol. Its IUPAC name is N-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide
PubChem CID155382115
Molecular FormulaC22H20F2N2O2
Molecular Weight382.41 g/mol
Exact Mass382.15
IUPAC NameN-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide
SMILESCc1cc2nccc(Oc3cc(F)c(NC(=O)C4(C)CC4)cc3F)c2cc1C
InChIInChI=1S/C22H20F2N2O2/c1-12-8-14-17(9-13(12)2)25-7-4-19(14)28-20-11-15(23)18(10-16(20)24)26-21(27)22(3)5-6-22/h4,7-11H,5-6H2,1-3H3,(H,26,27)
InChIKeyDMSONRKGNBBRJL-UHFFFAOYSA-N
XLogP5.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N'-[2,5-difluoro-4-[6-methyl-7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 139350154
3-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-difluorophenyl]-3-N-(4-fluorophenyl)oxetane-3,3-dicarboxamide
CID 71286110
4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 154625445
4-[2,5-difluoro-4-(sulfinoamino)phenoxy]-6,7-dimethoxyquinoline
CID 155099854
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084
N-[4-[7-[(Z,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-yl]quinolin-4-yl]oxy-3-fluorophenyl]-1-methylcyclopropane-1-carboxamide
CID 155735330
1-[2-fluoro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-methylurea
CID 70953580
1-N'-[3-fluoro-4-[6-methoxy-7-(methylamino)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 130443881
1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-N-(4-fluoro-3-hydroxyphenyl)cyclopropane-1,1-dicarboxamide
CID 90435587
3-N'-[2,5-difluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-N-(4-fluorophenyl)oxetane-3,3-dicarboxamide
CID 71285998
N-[2,5-difluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 72550966
4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide
CID 171645698

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide (CID 155382115) is N-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide is Cc1cc2nccc(Oc3cc(F)c(NC(=O)C4(C)CC4)cc3F)c2cc1C.
What is the InChIKey of N-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is DMSONRKGNBBRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O2/c1-12-8-14-17(9-13(12)2)25-7-4-19(14)28-20-11-15(23)18(10-16(20)24)26-21(27)22(3)5-6-22/h4,7-11H,5-6H2,1-3H3,(H,26,27).
What are the key properties of N-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide?
N-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 155382115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).