N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide

C28H26FN3O3 — CID 58272212

IUPACN-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide
SMILESCCNC(=O)c1cc2c(Oc3ccc(N(C)C(=O)Cc4ccc(F)cc4)cc3)ccnc2cc1C
InChIInChI=1S/C28H26FN3O3/c1-4-30-28(34)23-17-24-25(15-18(23)2)31-14-13-26(24)35-22-11-9-21(10-12-22)32(3)27(33)16-19-5-7-20(29)8-6-19/h5-15,17H,4,16H2,1-3H3,(H,30,34)
InChIKeyRKELFQMVIJOQPH-UHFFFAOYSA-N
MW471.53 g/mol
LogP5.43
Rot. Bonds7

About N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide

N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide (PubChem CID 58272212) has the molecular formula C28H26FN3O3 and a molecular weight of 471.53 g/mol. Its IUPAC name is N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide
PubChem CID58272212
Molecular FormulaC28H26FN3O3
Molecular Weight471.53 g/mol
Exact Mass471.20
IUPAC NameN-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide
SMILESCCNC(=O)c1cc2c(Oc3ccc(N(C)C(=O)Cc4ccc(F)cc4)cc3)ccnc2cc1C
InChIInChI=1S/C28H26FN3O3/c1-4-30-28(34)23-17-24-25(15-18(23)2)31-14-13-26(24)35-22-11-9-21(10-12-22)32(3)27(33)16-19-5-7-20(29)8-6-19/h5-15,17H,4,16H2,1-3H3,(H,30,34)
InChIKeyRKELFQMVIJOQPH-UHFFFAOYSA-N
XLogP5.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide with MolForge

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Related Compounds

4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methyl-N-propylquinoline-6-carboxamide
CID 58272919
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-ethyl-7-methylquinoline-6-carboxamide
CID 58272742
2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid
CID 71122818
1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one
CID 58272886
2-(4-fluorophenyl)-N-methyl-N-quinoxalin-6-ylacetamide
CID 110869504
3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea
CID 139799425
methyl 4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-6-methoxyquinoline-7-carboxylate
CID 159464647
1-[4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-6-methoxyquinolin-7-yl]propan-1-one
CID 159295377
1-[4-[6-(aminomethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-1-methylurea
CID 58931193
4-[4-[(2-cyclopropylacetyl)-methylamino]-3-fluorophenoxy]-N-(2-isocyanoethyl)-7-methylquinoline-6-carboxamide
CID 58272699
7-chloro-4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]quinoline-6-carboxamide
CID 158533752
1-[4-[7-[3-(dimethylamino)propoxy]-6-isocyanoquinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)propan-2-one
CID 58272299

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide?
The IUPAC name of N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide (CID 58272212) is N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide.
What is the SMILES notation for N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide?
The canonical SMILES for N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide is CCNC(=O)c1cc2c(Oc3ccc(N(C)C(=O)Cc4ccc(F)cc4)cc3)ccnc2cc1C.
What is the InChIKey of N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide?
The InChIKey is RKELFQMVIJOQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O3/c1-4-30-28(34)23-17-24-25(15-18(23)2)31-14-13-26(24)35-22-11-9-21(10-12-22)32(3)27(33)16-19-5-7-20(29)8-6-19/h5-15,17H,4,16H2,1-3H3,(H,30,34).
What are the key properties of N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide?
N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide has a molecular weight of 471.53 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide is sourced from PubChem (CID 58272212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).