4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide

C26H28FN5O5 — CID 22936652

IUPAC4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(NC(=O)NC4CC4)c(F)c3)ccnc2cc1OCCN1CCOCC1
InChIInChI=1S/C26H28FN5O5/c27-20-13-17(3-4-21(20)31-26(34)30-16-1-2-16)37-23-5-6-29-22-15-24(19(25(28)33)14-18(22)23)36-12-9-32-7-10-35-11-8-32/h3-6,13-16H,1-2,7-12H2,(H2,28,33)(H2,30,31,34)
InChIKeyLNOZDOXOQBCMIG-UHFFFAOYSA-N
MW509.54 g/mol
LogP3.26
Rot. Bonds9

About 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide

4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide (PubChem CID 22936652) has the molecular formula C26H28FN5O5 and a molecular weight of 509.54 g/mol. Its IUPAC name is 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide
PubChem CID22936652
Molecular FormulaC26H28FN5O5
Molecular Weight509.54 g/mol
Exact Mass509.21
IUPAC Name4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(NC(=O)NC4CC4)c(F)c3)ccnc2cc1OCCN1CCOCC1
InChIInChI=1S/C26H28FN5O5/c27-20-13-17(3-4-21(20)31-26(34)30-16-1-2-16)37-23-5-6-29-22-15-24(19(25(28)33)14-18(22)23)36-12-9-32-7-10-35-11-8-32/h3-6,13-16H,1-2,7-12H2,(H2,28,33)(H2,30,31,34)
InChIKeyLNOZDOXOQBCMIG-UHFFFAOYSA-N
XLogP3.26
TPSA128.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.54
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide with MolForge

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Related Compounds

4-[3-chloro-4-[(cyclopropylcarbamoylamino)methyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide
CID 16734304
4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(pyridin-4-ylmethoxy)quinoline-6-carboxamide
CID 22936253
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-5-carboxamide
CID 67418690
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-(7-sulfanylheptoxy)quinoline-6-carboxamide
CID 155184854
[2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea
CID 89363531
4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 154625445
4-[3-fluoro-4-(2-fluoroethylcarbamoylamino)phenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 58930854
1-[2-fluoro-4-[6-isocyano-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 58930980
1-cyclopropyl-3-[2-fluoro-4-[6-isocyano-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]urea
CID 58931266
1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 22667181
4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936630
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-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide?
The IUPAC name of 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide (CID 22936652) is 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide.
What is the SMILES notation for 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide?
The canonical SMILES for 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide is NC(=O)c1cc2c(Oc3ccc(NC(=O)NC4CC4)c(F)c3)ccnc2cc1OCCN1CCOCC1.
What is the InChIKey of 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide?
The InChIKey is LNOZDOXOQBCMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O5/c27-20-13-17(3-4-21(20)31-26(34)30-16-1-2-16)37-23-5-6-29-22-15-24(19(25(28)33)14-18(22)23)36-12-9-32-7-10-35-11-8-32/h3-6,13-16H,1-2,7-12H2,(H2,28,33)(H2,30,31,34).
What are the key properties of 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide?
4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide has a molecular weight of 509.54 g/mol, XLogP of 3.26, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide is sourced from PubChem (CID 22936652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).