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

C23H20ClF2N3O4 — CID 157176938

IUPAC4-[3-chloro-2-fluoro-4-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)N4CCC(F)C4)c(Cl)c3F)c2cc1C(N)=O
InChIInChI=1S/C23H20ClF2N3O4/c1-32-19-10-16-14(9-15(19)23(27)31)17(4-6-28-16)33-18-3-2-12(21(24)22(18)26)8-20(30)29-7-5-13(25)11-29/h2-4,6,9-10,13H,5,7-8,11H2,1H3,(H2,27,31)
InChIKeyHMRKVSWRVXCXHC-UHFFFAOYSA-N
MW475.88 g/mol
LogP4.04
Rot. Bonds6

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

4-[3-chloro-2-fluoro-4-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 157176938) has the molecular formula C23H20ClF2N3O4 and a molecular weight of 475.88 g/mol. Its IUPAC name is 4-[3-chloro-2-fluoro-4-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-2-fluoro-4-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID157176938
Molecular FormulaC23H20ClF2N3O4
Molecular Weight475.88 g/mol
Exact Mass475.11
IUPAC Name4-[3-chloro-2-fluoro-4-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)N4CCC(F)C4)c(Cl)c3F)c2cc1C(N)=O
InChIInChI=1S/C23H20ClF2N3O4/c1-32-19-10-16-14(9-15(19)23(27)31)17(4-6-28-16)33-18-3-2-12(21(24)22(18)26)8-20(30)29-7-5-13(25)11-29/h2-4,6,9-10,13H,5,7-8,11H2,1H3,(H2,27,31)
InChIKeyHMRKVSWRVXCXHC-UHFFFAOYSA-N
XLogP4.04
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.88
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lenvatinib
CID 9823820
Zanzalintinib
CID 139350422
Lenvatinib Mesylate
CID 11237762
7-Methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 11224593
4-[5-(Cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 11750694
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
6-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-cyclopropylnaphthalene-1-carboxamide
CID 52944070
4-[[5-(Aminocarbonyl)-2-naphthalenyl]oxy]-7-methoxy-6-quinolinecarboxamide
CID 11211389
1-N'-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
CID 134334010
6-(6-Acetyl-7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 52940598
Methyl 4-[4-[[1-[(4-fluorophenyl)carbamoyl]-cyclopropanecarbonyl]amino]-phenoxy]-7-methoxyquinoline-6-carboxylate
CID 139350198

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-2-fluoro-4-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[3-chloro-2-fluoro-4-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide (CID 157176938) is 4-[3-chloro-2-fluoro-4-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[3-chloro-2-fluoro-4-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[3-chloro-2-fluoro-4-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(CC(=O)N4CCC(F)C4)c(Cl)c3F)c2cc1C(N)=O.
What is the InChIKey of 4-[3-chloro-2-fluoro-4-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is HMRKVSWRVXCXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF2N3O4/c1-32-19-10-16-14(9-15(19)23(27)31)17(4-6-28-16)33-18-3-2-12(21(24)22(18)26)8-20(30)29-7-5-13(25)11-29/h2-4,6,9-10,13H,5,7-8,11H2,1H3,(H2,27,31).
What are the key properties of 4-[3-chloro-2-fluoro-4-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide?
4-[3-chloro-2-fluoro-4-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 475.88 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-2-fluoro-4-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]phenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 157176938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).