2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide

C24H19N5O3 — CID 167343268

IUPAC2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(N)=O)CC1c1ccc(Oc2ccnc3cc(-c4ccncn4)ccc23)cc1
InChIInChI=1S/C24H19N5O3/c25-22(30)24(23(26)31)12-18(24)14-1-4-16(5-2-14)32-21-8-10-28-20-11-15(3-6-17(20)21)19-7-9-27-13-29-19/h1-11,13,18H,12H2,(H2,25,30)(H2,26,31)
InChIKeySJWNUMJZCUCHSD-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.93
Rot. Bonds6

About 2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide

2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 167343268) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is 2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide
PubChem CID167343268
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC Name2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(N)=O)CC1c1ccc(Oc2ccnc3cc(-c4ccncn4)ccc23)cc1
InChIInChI=1S/C24H19N5O3/c25-22(30)24(23(26)31)12-18(24)14-1-4-16(5-2-14)32-21-8-10-28-20-11-15(3-6-17(20)21)19-7-9-27-13-29-19/h1-11,13,18H,12H2,(H2,25,30)(H2,26,31)
InChIKeySJWNUMJZCUCHSD-UHFFFAOYSA-N
XLogP2.93
TPSA134.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[7-(5-fluoro-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343307
2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343274
2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343249
2-[4-[7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343247
2-[4-[7-(2-hydroxyethoxycarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791973
2-[4-[7-(2-hydroxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791988
2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791980
2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791985
2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155792000
4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline
CID 167343301
2-[4-[[7-methoxy-6-(2-methylpyrazol-3-yl)-1,5-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 155791769
1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide
CID 69179253

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide (CID 167343268) is 2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(N)=O)CC1c1ccc(Oc2ccnc3cc(-c4ccncn4)ccc23)cc1.
What is the InChIKey of 2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is SJWNUMJZCUCHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c25-22(30)24(23(26)31)12-18(24)14-1-4-16(5-2-14)32-21-8-10-28-20-11-15(3-6-17(20)21)19-7-9-27-13-29-19/h1-11,13,18H,12H2,(H2,25,30)(H2,26,31).
What are the key properties of 2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide?
2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 425.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 167343268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).