N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

C26H24FN5O6 — CID 25032014

IUPACN-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)C(=O)Nc4cc(C)on4)cc3F)ccnc2cc1OCC1(N)CC1
InChIInChI=1S/C26H24FN5O6/c1-14-9-23(32-38-14)31-25(34)24(33)30-15-3-4-20(17(27)10-15)37-19-5-8-29-18-12-22(21(35-2)11-16(18)19)36-13-26(28)6-7-26/h3-5,8-12H,6-7,13,28H2,1-2H3,(H,30,33)(H,31,32,34)
InChIKeyNLEUHAQZMAVNDJ-UHFFFAOYSA-N
MW521.51 g/mol
LogP3.92
Rot. Bonds8

About N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 25032014) has the molecular formula C26H24FN5O6 and a molecular weight of 521.51 g/mol. Its IUPAC name is N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID25032014
Molecular FormulaC26H24FN5O6
Molecular Weight521.51 g/mol
Exact Mass521.17
IUPAC NameN-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)C(=O)Nc4cc(C)on4)cc3F)ccnc2cc1OCC1(N)CC1
InChIInChI=1S/C26H24FN5O6/c1-14-9-23(32-38-14)31-25(34)24(33)30-15-3-4-20(17(27)10-15)37-19-5-8-29-18-12-22(21(35-2)11-16(18)19)36-13-26(28)6-7-26/h3-5,8-12H,6-7,13,28H2,1-2H3,(H,30,33)(H,31,32,34)
InChIKeyNLEUHAQZMAVNDJ-UHFFFAOYSA-N
XLogP3.92
TPSA150.83 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.51
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Tivozanib
CID 9911830
Agerafenib
CID 56846693
Tivozanib Hydrochloride
CID 11547978
6-[(6,7-dimethoxy-4-quinolinyl)oxy]-N-3-isoxazolyl-1-Naphthalenecarboxamide
CID 11453506
N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 24822430
6-((6,7-bis(methoxy)-4-quinolinyl)oxy)-N-(5-methyl-3-isoxazolyl)-1-naphthalenecarboxamide
CID 24824446
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea
CID 135271540
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide
CID 70687766
N-[({5-[(6,7-Dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}amino)carbonyl]-2-pyrrolidin-1-ylacetamide
CID 11612145
N-(4-(6,7-bis(2-methoxyethoxy)quinolin-4-yloxy)-3-fluorophenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 24966649
US9730937, Example 1
CID 44243129
1-(5-Tert-butylisoxazol-3-yl)-3-(3-(7-methoxy-6-(2-(piperidin-1-yl)ethoxy)quinazolin-4-yloxy)phenyl)urea
CID 44243179

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 25032014) is N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is COc1cc2c(Oc3ccc(NC(=O)C(=O)Nc4cc(C)on4)cc3F)ccnc2cc1OCC1(N)CC1.
What is the InChIKey of N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is NLEUHAQZMAVNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O6/c1-14-9-23(32-38-14)31-25(34)24(33)30-15-3-4-20(17(27)10-15)37-19-5-8-29-18-12-22(21(35-2)11-16(18)19)36-13-26(28)6-7-26/h3-5,8-12H,6-7,13,28H2,1-2H3,(H,30,33)(H,31,32,34).
What are the key properties of N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 521.51 g/mol, XLogP of 3.92, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 25032014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).