N-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide

C26H24N6O4 — CID 67374323

IUPACN-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide
SMILESCOc1ccc2c(Oc3cnc(NC(=O)C4C(=O)N(c5ccccc5)NC4(C)C)nc3)ccnc2c1
InChIInChI=1S/C26H24N6O4/c1-26(2)22(24(34)32(31-26)16-7-5-4-6-8-16)23(33)30-25-28-14-18(15-29-25)36-21-11-12-27-20-13-17(35-3)9-10-19(20)21/h4-15,22,31H,1-3H3,(H,28,29,30,33)
InChIKeyQLOGCSPTENKOTF-UHFFFAOYSA-N
MW484.52 g/mol
LogP3.71
Rot. Bonds6

About N-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide

N-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide (PubChem CID 67374323) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is N-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide
PubChem CID67374323
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC NameN-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide
SMILESCOc1ccc2c(Oc3cnc(NC(=O)C4C(=O)N(c5ccccc5)NC4(C)C)nc3)ccnc2c1
InChIInChI=1S/C26H24N6O4/c1-26(2)22(24(34)32(31-26)16-7-5-4-6-8-16)23(33)30-25-28-14-18(15-29-25)36-21-11-12-27-20-13-17(35-3)9-10-19(20)21/h4-15,22,31H,1-3H3,(H,28,29,30,33)
InChIKeyQLOGCSPTENKOTF-UHFFFAOYSA-N
XLogP3.71
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 44516532
[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazolidin-1-yl]propan-2-yl] (2S)-2-aminopropanoate
CID 70852559
1-(2,2-dimethylpropyl)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 160606209
N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-6,6-dimethyl-2,5-dioxo-1-phenyl-7,8-dihydroquinoline-3-carboxamide
CID 121361538
1-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-3-oxo-2-phenylpyrazole-4-carboxamide
CID 151355496
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide
CID 45274413
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate
CID 68740542
[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] (2S)-2-aminopropanoate;hydrochloride
CID 66669934
[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminoacetate
CID 66670758
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate;hydrochloride
CID 68742173

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide?
The IUPAC name of N-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide (CID 67374323) is N-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide.
What is the SMILES notation for N-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide?
The canonical SMILES for N-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide is COc1ccc2c(Oc3cnc(NC(=O)C4C(=O)N(c5ccccc5)NC4(C)C)nc3)ccnc2c1.
What is the InChIKey of N-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide?
The InChIKey is QLOGCSPTENKOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-26(2)22(24(34)32(31-26)16-7-5-4-6-8-16)23(33)30-25-28-14-18(15-29-25)36-21-11-12-27-20-13-17(35-3)9-10-19(20)21/h4-15,22,31H,1-3H3,(H,28,29,30,33).
What are the key properties of N-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide?
N-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide has a molecular weight of 484.52 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-methoxyquinolin-4-yl)oxypyrimidin-2-yl]-3,3-dimethyl-5-oxo-1-phenylpyrazolidine-4-carboxamide is sourced from PubChem (CID 67374323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).