4-[3-fluoro-4-[(2-propan-2-yl-5-quinolin-6-yl-1,3-oxazol-4-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C29H25FN6O4 — CID 67251976

IUPAC4-[3-fluoro-4-[(2-propan-2-yl-5-quinolin-6-yl-1,3-oxazol-4-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3nc(C(C)C)oc3-c3ccc4ncccc4c3)c(F)c2)ccn1
InChIInChI=1S/C29H25FN6O4/c1-16(2)28-35-26(25(40-28)18-6-8-22-17(13-18)5-4-11-32-22)36-29(38)34-23-9-7-19(14-21(23)30)39-20-10-12-33-24(15-20)27(37)31-3/h4-16H,1-3H3,(H,31,37)(H2,34,36,38)
InChIKeyJNGNCTRQCAVQGW-UHFFFAOYSA-N
MW540.56 g/mol
LogP6.34
Rot. Bonds7

About 4-[3-fluoro-4-[(2-propan-2-yl-5-quinolin-6-yl-1,3-oxazol-4-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[3-fluoro-4-[(2-propan-2-yl-5-quinolin-6-yl-1,3-oxazol-4-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 67251976) has the molecular formula C29H25FN6O4 and a molecular weight of 540.56 g/mol. Its IUPAC name is 4-[3-fluoro-4-[(2-propan-2-yl-5-quinolin-6-yl-1,3-oxazol-4-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-fluoro-4-[(2-propan-2-yl-5-quinolin-6-yl-1,3-oxazol-4-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID67251976
Molecular FormulaC29H25FN6O4
Molecular Weight540.56 g/mol
Exact Mass540.19
IUPAC Name4-[3-fluoro-4-[(2-propan-2-yl-5-quinolin-6-yl-1,3-oxazol-4-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3nc(C(C)C)oc3-c3ccc4ncccc4c3)c(F)c2)ccn1
InChIInChI=1S/C29H25FN6O4/c1-16(2)28-35-26(25(40-28)18-6-8-22-17(13-18)5-4-11-32-22)36-29(38)34-23-9-7-19(14-21(23)30)39-20-10-12-33-24(15-20)27(37)31-3/h4-16H,1-3H3,(H,31,37)(H2,34,36,38)
InChIKeyJNGNCTRQCAVQGW-UHFFFAOYSA-N
XLogP6.34
TPSA131.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.56
LogP ≤ 56.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[(2-propan-2-yl-5-quinolin-6-yl-1,3-oxazol-4-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-fluoro-4-[(2-propan-2-yl-5-quinolin-6-yl-1,3-oxazol-4-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 67251976) is 4-[3-fluoro-4-[(2-propan-2-yl-5-quinolin-6-yl-1,3-oxazol-4-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-fluoro-4-[(2-propan-2-yl-5-quinolin-6-yl-1,3-oxazol-4-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-fluoro-4-[(2-propan-2-yl-5-quinolin-6-yl-1,3-oxazol-4-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3nc(C(C)C)oc3-c3ccc4ncccc4c3)c(F)c2)ccn1.
What is the InChIKey of 4-[3-fluoro-4-[(2-propan-2-yl-5-quinolin-6-yl-1,3-oxazol-4-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is JNGNCTRQCAVQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN6O4/c1-16(2)28-35-26(25(40-28)18-6-8-22-17(13-18)5-4-11-32-22)36-29(38)34-23-9-7-19(14-21(23)30)39-20-10-12-33-24(15-20)27(37)31-3/h4-16H,1-3H3,(H,31,37)(H2,34,36,38).
What are the key properties of 4-[3-fluoro-4-[(2-propan-2-yl-5-quinolin-6-yl-1,3-oxazol-4-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-fluoro-4-[(2-propan-2-yl-5-quinolin-6-yl-1,3-oxazol-4-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 540.56 g/mol, XLogP of 6.34, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[(2-propan-2-yl-5-quinolin-6-yl-1,3-oxazol-4-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 67251976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).