N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide

C30H27FN4O4 — CID 11963059

IUPACN-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide
SMILESCCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1
InChIInChI=1S/C30H27FN4O4/c1-4-16-34-19(2)28(30(37)35(34)21-8-6-5-7-9-21)29(36)33-20-10-13-27(24(31)17-20)39-26-14-15-32-25-18-22(38-3)11-12-23(25)26/h5-15,17-18H,4,16H2,1-3H3,(H,33,36)
InChIKeyQQANYCOFSUVVIT-UHFFFAOYSA-N
MW526.57 g/mol
LogP6.10
Rot. Bonds8

About N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide

N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide (PubChem CID 11963059) has the molecular formula C30H27FN4O4 and a molecular weight of 526.57 g/mol. Its IUPAC name is N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide
PubChem CID11963059
Molecular FormulaC30H27FN4O4
Molecular Weight526.57 g/mol
Exact Mass526.20
IUPAC NameN-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide
SMILESCCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1
InChIInChI=1S/C30H27FN4O4/c1-4-16-34-19(2)28(30(37)35(34)21-8-6-5-7-9-21)29(36)33-20-10-13-27(24(31)17-20)39-26-14-15-32-25-18-22(38-3)11-12-23(25)26/h5-15,17-18H,4,16H2,1-3H3,(H,33,36)
InChIKeyQQANYCOFSUVVIT-UHFFFAOYSA-N
XLogP6.10
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.57
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide (CID 11963059) is N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide is CCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1.
What is the InChIKey of N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide?
The InChIKey is QQANYCOFSUVVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O4/c1-4-16-34-19(2)28(30(37)35(34)21-8-6-5-7-9-21)29(36)33-20-10-13-27(24(31)17-20)39-26-14-15-32-25-18-22(38-3)11-12-23(25)26/h5-15,17-18H,4,16H2,1-3H3,(H,33,36).
What are the key properties of N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide?
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide has a molecular weight of 526.57 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide is sourced from PubChem (CID 11963059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).