1-N-(4-fluorophenyl)-1-N'-[6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]cyclopropane-1,1-dicarboxamide

C28H24FN5O5 — CID 155674579

IUPAC1-N-(4-fluorophenyl)-1-N'-[6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]cyclopropane-1,1-dicarboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cn3)ccnc2cc1OC
InChIInChI=1S/C28H24FN5O5/c1-30-25(35)20-13-19-21(14-23(20)38-2)31-12-9-22(19)39-24-8-7-18(15-32-24)34-27(37)28(10-11-28)26(36)33-17-5-3-16(29)4-6-17/h3-9,12-15H,10-11H2,1-2H3,(H,30,35)(H,33,36)(H,34,37)
InChIKeyCLNZOVOBAXNFGG-UHFFFAOYSA-N
MW529.53 g/mol
LogP4.29
Rot. Bonds8

About 1-N-(4-fluorophenyl)-1-N'-[6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]cyclopropane-1,1-dicarboxamide

1-N-(4-fluorophenyl)-1-N'-[6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]cyclopropane-1,1-dicarboxamide (PubChem CID 155674579) has the molecular formula C28H24FN5O5 and a molecular weight of 529.53 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-1-N'-[6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-1-N'-[6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]cyclopropane-1,1-dicarboxamide
PubChem CID155674579
Molecular FormulaC28H24FN5O5
Molecular Weight529.53 g/mol
Exact Mass529.18
IUPAC Name1-N-(4-fluorophenyl)-1-N'-[6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]cyclopropane-1,1-dicarboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cn3)ccnc2cc1OC
InChIInChI=1S/C28H24FN5O5/c1-30-25(35)20-13-19-21(14-23(20)38-2)31-12-9-22(19)39-24-8-7-18(15-32-24)34-27(37)28(10-11-28)26(36)33-17-5-3-16(29)4-6-17/h3-9,12-15H,10-11H2,1-2H3,(H,30,35)(H,33,36)(H,34,37)
InChIKeyCLNZOVOBAXNFGG-UHFFFAOYSA-N
XLogP4.29
TPSA131.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.53
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluorophenyl)-1-N'-[6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(4-fluorophenyl)-1-N'-[6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]cyclopropane-1,1-dicarboxamide (CID 155674579) is 1-N-(4-fluorophenyl)-1-N'-[6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(4-fluorophenyl)-1-N'-[6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(4-fluorophenyl)-1-N'-[6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]cyclopropane-1,1-dicarboxamide is CNC(=O)c1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cn3)ccnc2cc1OC.
What is the InChIKey of 1-N-(4-fluorophenyl)-1-N'-[6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is CLNZOVOBAXNFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O5/c1-30-25(35)20-13-19-21(14-23(20)38-2)31-12-9-22(19)39-24-8-7-18(15-32-24)34-27(37)28(10-11-28)26(36)33-17-5-3-16(29)4-6-17/h3-9,12-15H,10-11H2,1-2H3,(H,30,35)(H,33,36)(H,34,37).
What are the key properties of 1-N-(4-fluorophenyl)-1-N'-[6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]cyclopropane-1,1-dicarboxamide?
1-N-(4-fluorophenyl)-1-N'-[6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 529.53 g/mol, XLogP of 4.29, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluorophenyl)-1-N'-[6-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxy-3-pyridinyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 155674579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).