4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide

C26H22FN5O4 — CID 22936253

IUPAC4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(NC(=O)NC4CC4)c(F)c3)ccnc2cc1OCc1ccncc1
InChIInChI=1S/C26H22FN5O4/c27-20-11-17(3-4-21(20)32-26(34)31-16-1-2-16)36-23-7-10-30-22-13-24(19(25(28)33)12-18(22)23)35-14-15-5-8-29-9-6-15/h3-13,16H,1-2,14H2,(H2,28,33)(H2,31,32,34)
InChIKeyBGAGMCWPDGTIQU-UHFFFAOYSA-N
MW487.49 g/mol
LogP4.52
Rot. Bonds8

About 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide

4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide (PubChem CID 22936253) has the molecular formula C26H22FN5O4 and a molecular weight of 487.49 g/mol. Its IUPAC name is 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide
PubChem CID22936253
Molecular FormulaC26H22FN5O4
Molecular Weight487.49 g/mol
Exact Mass487.17
IUPAC Name4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(NC(=O)NC4CC4)c(F)c3)ccnc2cc1OCc1ccncc1
InChIInChI=1S/C26H22FN5O4/c27-20-11-17(3-4-21(20)32-26(34)31-16-1-2-16)36-23-7-10-30-22-13-24(19(25(28)33)12-18(22)23)35-14-15-5-8-29-9-6-15/h3-13,16H,1-2,14H2,(H2,28,33)(H2,31,32,34)
InChIKeyBGAGMCWPDGTIQU-UHFFFAOYSA-N
XLogP4.52
TPSA128.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide with MolForge

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Related Compounds

4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide
CID 22936652
4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 154625445
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-(7-sulfanylheptoxy)quinoline-6-carboxamide
CID 155184854
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936630
4-[3-fluoro-4-(2-fluoroethylcarbamoylamino)phenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 58930854
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-N-pyridin-4-ylquinoline-6-carboxamide
CID 22936873
1-cyclopropyl-3-[2-fluoro-4-[6-isocyano-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]urea
CID 58931266
4-[4-(cyclopropylcarbamoylamino)-3-methylphenoxy]-N,7-dimethoxyquinoline-6-carboxamide
CID 22936274
2-[4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinolin-6-yl]acetamide
CID 140941284
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N,7-dimethoxyquinoline-6-carboxamide
CID 10049743
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxylic acid
CID 58931191

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide?
The IUPAC name of 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide (CID 22936253) is 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide.
What is the SMILES notation for 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide?
The canonical SMILES for 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide is NC(=O)c1cc2c(Oc3ccc(NC(=O)NC4CC4)c(F)c3)ccnc2cc1OCc1ccncc1.
What is the InChIKey of 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide?
The InChIKey is BGAGMCWPDGTIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O4/c27-20-11-17(3-4-21(20)32-26(34)31-16-1-2-16)36-23-7-10-30-22-13-24(19(25(28)33)12-18(22)23)35-14-15-5-8-29-9-6-15/h3-13,16H,1-2,14H2,(H2,28,33)(H2,31,32,34).
What are the key properties of 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide?
4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide has a molecular weight of 487.49 g/mol, XLogP of 4.52, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide is sourced from PubChem (CID 22936253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).