4-[3-fluoro-4-[(5-propan-2-yl-2-quinolin-6-ylfuran-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C30H26FN5O4 — CID 67252434

IUPAC4-[3-fluoro-4-[(5-propan-2-yl-2-quinolin-6-ylfuran-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)C)oc3-c3ccc4ncccc4c3)c(F)c2)ccn1
InChIInChI=1S/C30H26FN5O4/c1-17(2)27-16-25(28(40-27)19-6-8-23-18(13-19)5-4-11-33-23)36-30(38)35-24-9-7-20(14-22(24)31)39-21-10-12-34-26(15-21)29(37)32-3/h4-17H,1-3H3,(H,32,37)(H2,35,36,38)
InChIKeyMEXFJATZFLAEOM-UHFFFAOYSA-N
MW539.57 g/mol
LogP6.95
Rot. Bonds7

About 4-[3-fluoro-4-[(5-propan-2-yl-2-quinolin-6-ylfuran-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[3-fluoro-4-[(5-propan-2-yl-2-quinolin-6-ylfuran-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 67252434) has the molecular formula C30H26FN5O4 and a molecular weight of 539.57 g/mol. Its IUPAC name is 4-[3-fluoro-4-[(5-propan-2-yl-2-quinolin-6-ylfuran-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-fluoro-4-[(5-propan-2-yl-2-quinolin-6-ylfuran-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID67252434
Molecular FormulaC30H26FN5O4
Molecular Weight539.57 g/mol
Exact Mass539.20
IUPAC Name4-[3-fluoro-4-[(5-propan-2-yl-2-quinolin-6-ylfuran-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)C)oc3-c3ccc4ncccc4c3)c(F)c2)ccn1
InChIInChI=1S/C30H26FN5O4/c1-17(2)27-16-25(28(40-27)19-6-8-23-18(13-19)5-4-11-33-23)36-30(38)35-24-9-7-20(14-22(24)31)39-21-10-12-34-26(15-21)29(37)32-3/h4-17H,1-3H3,(H,32,37)(H2,35,36,38)
InChIKeyMEXFJATZFLAEOM-UHFFFAOYSA-N
XLogP6.95
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.57
LogP ≤ 56.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[(5-propan-2-yl-2-quinolin-6-ylfuran-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-fluoro-4-[(5-propan-2-yl-2-quinolin-6-ylfuran-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 67252434) is 4-[3-fluoro-4-[(5-propan-2-yl-2-quinolin-6-ylfuran-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-fluoro-4-[(5-propan-2-yl-2-quinolin-6-ylfuran-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-fluoro-4-[(5-propan-2-yl-2-quinolin-6-ylfuran-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)C)oc3-c3ccc4ncccc4c3)c(F)c2)ccn1.
What is the InChIKey of 4-[3-fluoro-4-[(5-propan-2-yl-2-quinolin-6-ylfuran-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is MEXFJATZFLAEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5O4/c1-17(2)27-16-25(28(40-27)19-6-8-23-18(13-19)5-4-11-33-23)36-30(38)35-24-9-7-20(14-22(24)31)39-21-10-12-34-26(15-21)29(37)32-3/h4-17H,1-3H3,(H,32,37)(H2,35,36,38).
What are the key properties of 4-[3-fluoro-4-[(5-propan-2-yl-2-quinolin-6-ylfuran-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-fluoro-4-[(5-propan-2-yl-2-quinolin-6-ylfuran-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 539.57 g/mol, XLogP of 6.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[(5-propan-2-yl-2-quinolin-6-ylfuran-3-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 67252434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).