7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide

C27H28N6O4 — CID 171348948

IUPAC7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)N4CCCCC4)cc3)c2cc1C(N)=O
InChIInChI=1S/C27H28N6O4/c1-32-16-21(27(35)33-12-4-3-5-13-33)26(31-32)30-17-6-8-18(9-7-17)37-23-10-11-29-22-15-24(36-2)20(25(28)34)14-19(22)23/h6-11,14-16H,3-5,12-13H2,1-2H3,(H2,28,34)(H,30,31)
InChIKeyIBIDUIHMIXEQCQ-UHFFFAOYSA-N
MW500.56 g/mol
LogP4.24
Rot. Bonds7

About 7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide

7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide (PubChem CID 171348948) has the molecular formula C27H28N6O4 and a molecular weight of 500.56 g/mol. Its IUPAC name is 7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide
PubChem CID171348948
Molecular FormulaC27H28N6O4
Molecular Weight500.56 g/mol
Exact Mass500.22
IUPAC Name7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)N4CCCCC4)cc3)c2cc1C(N)=O
InChIInChI=1S/C27H28N6O4/c1-32-16-21(27(35)33-12-4-3-5-13-33)26(31-32)30-17-6-8-18(9-7-17)37-23-10-11-29-22-15-24(36-2)20(25(28)34)14-19(22)23/h6-11,14-16H,3-5,12-13H2,1-2H3,(H2,28,34)(H,30,31)
InChIKeyIBIDUIHMIXEQCQ-UHFFFAOYSA-N
XLogP4.24
TPSA124.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide?
The IUPAC name of 7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide (CID 171348948) is 7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide.
What is the SMILES notation for 7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide?
The canonical SMILES for 7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)N4CCCCC4)cc3)c2cc1C(N)=O.
What is the InChIKey of 7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide?
The InChIKey is IBIDUIHMIXEQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4/c1-32-16-21(27(35)33-12-4-3-5-13-33)26(31-32)30-17-6-8-18(9-7-17)37-23-10-11-29-22-15-24(36-2)20(25(28)34)14-19(22)23/h6-11,14-16H,3-5,12-13H2,1-2H3,(H2,28,34)(H,30,31).
What are the key properties of 7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide?
7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide has a molecular weight of 500.56 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide is sourced from PubChem (CID 171348948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).