4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide

C23H21ClFN3O5 — CID 157176939

IUPAC4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)N4CCC(O)C4)c(Cl)c3F)c2cc1C(N)=O
InChIInChI=1S/C23H21ClFN3O5/c1-32-19-10-16-14(9-15(19)23(26)31)17(4-6-27-16)33-18-3-2-12(21(24)22(18)25)8-20(30)28-7-5-13(29)11-28/h2-4,6,9-10,13,29H,5,7-8,11H2,1H3,(H2,26,31)
InChIKeyCSGKXAYHYCEXPU-UHFFFAOYSA-N
MW473.89 g/mol
LogP3.06
Rot. Bonds6

About 4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide

4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 157176939) has the molecular formula C23H21ClFN3O5 and a molecular weight of 473.89 g/mol. Its IUPAC name is 4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID157176939
Molecular FormulaC23H21ClFN3O5
Molecular Weight473.89 g/mol
Exact Mass473.12
IUPAC Name4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)N4CCC(O)C4)c(Cl)c3F)c2cc1C(N)=O
InChIInChI=1S/C23H21ClFN3O5/c1-32-19-10-16-14(9-15(19)23(26)31)17(4-6-27-16)33-18-3-2-12(21(24)22(18)25)8-20(30)28-7-5-13(29)11-28/h2-4,6,9-10,13,29H,5,7-8,11H2,1H3,(H2,26,31)
InChIKeyCSGKXAYHYCEXPU-UHFFFAOYSA-N
XLogP3.06
TPSA114.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.89
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide with MolForge

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Related Compounds

Lenvatinib
CID 9823820
7-Methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 11224593
4-[5-[(4-Chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268
6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)naphthalene-1-carboxamide
CID 52940860
1-N'-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
CID 134334010
N-[4-methyl-3-(1-propan-2-ylpyrrolidin-3-yl)oxyphenyl]quinoline-6-carboxamide;2,2,2-trifluoroacetic acid
CID 44526133
N-[4-methyl-3-[1-(3-methylbutyl)pyrrolidin-3-yl]oxyphenyl]quinoline-6-carboxamide;2,2,2-trifluoroacetic acid
CID 44526590
1-N'-(4-fluorophenyl)-1-N-[4-[6-(3-hydroxyazetidine-1-carbonyl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 139350461
(4-((6-(Aminocarbonyl)-7-methoxy-4-quinolinyl)oxy)-2-chlorophenyl)carbamic acid phenyl ester
CID 22936529
N-[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-4-methylphenyl]quinoline-6-carboxamide;2,2,2-trifluoroacetic acid
CID 44526173
4-(3-Acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide
CID 166095714
4-(3-Chloro-4-(((cyclopropylamino)carbonyl)amino)phenoxy)-7-hydroxy-6-quinolinecarboxamide
CID 135566046

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide (CID 157176939) is 4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(CC(=O)N4CCC(O)C4)c(Cl)c3F)c2cc1C(N)=O.
What is the InChIKey of 4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is CSGKXAYHYCEXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O5/c1-32-19-10-16-14(9-15(19)23(26)31)17(4-6-27-16)33-18-3-2-12(21(24)22(18)25)8-20(30)28-7-5-13(29)11-28/h2-4,6,9-10,13,29H,5,7-8,11H2,1H3,(H2,26,31).
What are the key properties of 4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide?
4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 473.89 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-2-fluoro-4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 157176939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).