4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide

C23H21FN6O4 — CID 138706790

IUPAC4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(NC(=O)Nc4cnn(C)c4)cc3F)ccnc2cc1OC
InChIInChI=1S/C23H21FN6O4/c1-25-22(31)16-9-15-18(10-21(16)33-3)26-7-6-19(15)34-20-5-4-13(8-17(20)24)28-23(32)29-14-11-27-30(2)12-14/h4-12H,1-3H3,(H,25,31)(H2,28,29,32)
InChIKeyZJBIWVUZOGDRBL-UHFFFAOYSA-N
MW464.46 g/mol
LogP3.91
Rot. Bonds6

About 4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide

4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide (PubChem CID 138706790) has the molecular formula C23H21FN6O4 and a molecular weight of 464.46 g/mol. Its IUPAC name is 4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
PubChem CID138706790
Molecular FormulaC23H21FN6O4
Molecular Weight464.46 g/mol
Exact Mass464.16
IUPAC Name4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(NC(=O)Nc4cnn(C)c4)cc3F)ccnc2cc1OC
InChIInChI=1S/C23H21FN6O4/c1-25-22(31)16-9-15-18(10-21(16)33-3)26-7-6-19(15)34-20-5-4-13(8-17(20)24)28-23(32)29-14-11-27-30(2)12-14/h4-12H,1-3H3,(H,25,31)(H2,28,29,32)
InChIKeyZJBIWVUZOGDRBL-UHFFFAOYSA-N
XLogP3.91
TPSA119.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-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 4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide?
The IUPAC name of 4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide (CID 138706790) is 4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide.
What is the SMILES notation for 4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide?
The canonical SMILES for 4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide is CNC(=O)c1cc2c(Oc3ccc(NC(=O)Nc4cnn(C)c4)cc3F)ccnc2cc1OC.
What is the InChIKey of 4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide?
The InChIKey is ZJBIWVUZOGDRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O4/c1-25-22(31)16-9-15-18(10-21(16)33-3)26-7-6-19(15)34-20-5-4-13(8-17(20)24)28-23(32)29-14-11-27-30(2)12-14/h4-12H,1-3H3,(H,25,31)(H2,28,29,32).
What are the key properties of 4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide?
4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide has a molecular weight of 464.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 138706790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).