2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide

C24H20FN3O5 — CID 175908278

IUPAC2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide
SMILESCOc1cc2c(Oc3cnc(F)c(C(N)=O)c3-c3ccccc3)ccnc2cc1OCCO
InChIInChI=1S/C24H20FN3O5/c1-31-18-11-15-16(12-19(18)32-10-9-29)27-8-7-17(15)33-20-13-28-23(25)22(24(26)30)21(20)14-5-3-2-4-6-14/h2-8,11-13,29H,9-10H2,1H3,(H2,26,30)
InChIKeyHZRWMMRCDSWMOL-UHFFFAOYSA-N
MW449.44 g/mol
LogP3.71
Rot. Bonds8

About 2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide

2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide (PubChem CID 175908278) has the molecular formula C24H20FN3O5 and a molecular weight of 449.44 g/mol. Its IUPAC name is 2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide
PubChem CID175908278
Molecular FormulaC24H20FN3O5
Molecular Weight449.44 g/mol
Exact Mass449.14
IUPAC Name2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide
SMILESCOc1cc2c(Oc3cnc(F)c(C(N)=O)c3-c3ccccc3)ccnc2cc1OCCO
InChIInChI=1S/C24H20FN3O5/c1-31-18-11-15-16(12-19(18)32-10-9-29)27-8-7-17(15)33-20-13-28-23(25)22(24(26)30)21(20)14-5-3-2-4-6-14/h2-8,11-13,29H,9-10H2,1H3,(H2,26,30)
InChIKeyHZRWMMRCDSWMOL-UHFFFAOYSA-N
XLogP3.71
TPSA116.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
CID 175908320
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
CID 175908319
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
CID 175032455
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626
4-(2-fluoro-4-nitrosophenoxy)-7-methoxy-6-phenylmethoxyquinoline
CID 89208447
bicyclo[3.1.0]hexa-1(6),2,4-triene;S-[N-carbamoyl-4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxy-3-fluoroanilino] ethanethioate
CID 87306234
2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid
CID 67265062
6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid
CID 18788641
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
(E,2E)-N-[3,5-difluoro-4-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enamide
CID 168942983
1-N'-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 68636414

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide?
The IUPAC name of 2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide (CID 175908278) is 2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide is COc1cc2c(Oc3cnc(F)c(C(N)=O)c3-c3ccccc3)ccnc2cc1OCCO.
What is the InChIKey of 2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide?
The InChIKey is HZRWMMRCDSWMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O5/c1-31-18-11-15-16(12-19(18)32-10-9-29)27-8-7-17(15)33-20-13-28-23(25)22(24(26)30)21(20)14-5-3-2-4-6-14/h2-8,11-13,29H,9-10H2,1H3,(H2,26,30).
What are the key properties of 2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide?
2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide has a molecular weight of 449.44 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 175908278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).