[2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea

C24H26FN5O4 — CID 89363531

IUPAC[2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea
SMILES[H]/N=C/c1cc2c(Oc3ccc(NC(N)=O)c(F)c3)ccnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H26FN5O4/c25-19-13-17(2-3-20(19)29-24(27)31)34-22-4-5-28-21-14-23(16(15-26)12-18(21)22)33-9-1-6-30-7-10-32-11-8-30/h2-5,12-15,26H,1,6-11H2,(H3,27,29,31)/b26-15+
InChIKeyUWEOGBZCVDASNO-CVKSISIWSA-N
MW467.50 g/mol
LogP3.76
Rot. Bonds9

About [2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea

[2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea (PubChem CID 89363531) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is [2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea.

Molecular Properties

Compound Name[2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea
PubChem CID89363531
Molecular FormulaC24H26FN5O4
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name[2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea
SMILES[H]/N=C/c1cc2c(Oc3ccc(NC(N)=O)c(F)c3)ccnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H26FN5O4/c25-19-13-17(2-3-20(19)29-24(27)31)34-22-4-5-28-21-14-23(16(15-26)12-18(21)22)33-9-1-6-30-7-10-32-11-8-30/h2-5,12-15,26H,1,6-11H2,(H3,27,29,31)/b26-15+
InChIKeyUWEOGBZCVDASNO-CVKSISIWSA-N
XLogP3.76
TPSA122.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea with MolForge

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Launch Full Analysis

Related Compounds

4-[4-(cyclopropylcarbamoylamino)-3-fluorophenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carboxamide
CID 22936652
1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 22667181
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-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea
CID 22667116
1-[(E)-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methylideneamino]-3-(2-fluorophenyl)urea
CID 72723924
4-[3-[4-(3-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 141064103
4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-7-(3-morpholin-4-ylpropoxy)quinoline-6-carboxamide
CID 162200789
1-(3,3-dimethylbutyl)-3-[2-fluoro-4-[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]urea
CID 23022830
1-[1-(3,4-difluorophenyl)ethyl]-3-[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea
CID 10348434
N-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxynaphthalene-1-carboxamide
CID 59813690
3-N'-[2,5-difluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-N-(4-fluorophenyl)oxetane-3,3-dicarboxamide
CID 71285998
1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 141472646

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea?
The IUPAC name of [2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea (CID 89363531) is [2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea.
What is the SMILES notation for [2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea?
The canonical SMILES for [2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea is [H]/N=C/c1cc2c(Oc3ccc(NC(N)=O)c(F)c3)ccnc2cc1OCCCN1CCOCC1.
What is the InChIKey of [2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea?
The InChIKey is UWEOGBZCVDASNO-CVKSISIWSA-N. The full InChI is InChI=1S/C24H26FN5O4/c25-19-13-17(2-3-20(19)29-24(27)31)34-22-4-5-28-21-14-23(16(15-26)12-18(21)22)33-9-1-6-30-7-10-32-11-8-30/h2-5,12-15,26H,1,6-11H2,(H3,27,29,31)/b26-15+.
What are the key properties of [2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea?
[2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea has a molecular weight of 467.50 g/mol, XLogP of 3.76, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[6-methanimidoyl-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea is sourced from PubChem (CID 89363531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).