1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea

C27H33ClN4O5 — CID 22667116

IUPAC1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(OC)cc23)cc1Cl
InChIInChI=1S/C27H33ClN4O5/c1-3-8-30-27(33)31-22-6-5-19(16-21(22)28)37-24-7-9-29-23-18-26(25(34-2)17-20(23)24)36-13-4-10-32-11-14-35-15-12-32/h5-7,9,16-18H,3-4,8,10-15H2,1-2H3,(H2,30,31,33)
InChIKeyVGKBAJHJXBKFEY-UHFFFAOYSA-N
MW529.04 g/mol
LogP5.32
Rot. Bonds11

About 1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea

1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea (PubChem CID 22667116) has the molecular formula C27H33ClN4O5 and a molecular weight of 529.04 g/mol. Its IUPAC name is 1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea
PubChem CID22667116
Molecular FormulaC27H33ClN4O5
Molecular Weight529.04 g/mol
Exact Mass528.21
IUPAC Name1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(OC)cc23)cc1Cl
InChIInChI=1S/C27H33ClN4O5/c1-3-8-30-27(33)31-22-6-5-19(16-21(22)28)37-24-7-9-29-23-18-26(25(34-2)17-20(23)24)36-13-4-10-32-11-14-35-15-12-32/h5-7,9,16-18H,3-4,8,10-15H2,1-2H3,(H2,30,31,33)
InChIKeyVGKBAJHJXBKFEY-UHFFFAOYSA-N
XLogP5.32
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.04
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea with MolForge

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Related Compounds

1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-propylurea
CID 78318725
1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 22667181
1-(3,3-dimethylbutyl)-3-[4-[6-methoxy-7-(4-morpholin-4-ylbutoxy)quinolin-4-yl]oxyphenyl]urea
CID 23022711
1-[2-chloro-4-[6-methoxy-7-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]quinolin-4-yl]oxyphenyl]-3-(3,3-dimethylbutyl)urea
CID 23022631
1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-propylurea
CID 78318786
1-[2-chloro-4-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]-3-(3,3-dimethylbutyl)urea
CID 23022693
1-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 90349736
1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]hexan-2-one
CID 157253214
2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 139932135
1-[2-chloro-4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-propylurea
CID 22667231
1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-3-propylurea
CID 139405875
1-(3,3-dimethylbutyl)-3-[2-fluoro-4-[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]urea
CID 23022830

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea?
The IUPAC name of 1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea (CID 22667116) is 1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea.
What is the SMILES notation for 1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea?
The canonical SMILES for 1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea is CCCNC(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(OC)cc23)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea?
The InChIKey is VGKBAJHJXBKFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O5/c1-3-8-30-27(33)31-22-6-5-19(16-21(22)28)37-24-7-9-29-23-18-26(25(34-2)17-20(23)24)36-13-4-10-32-11-14-35-15-12-32/h5-7,9,16-18H,3-4,8,10-15H2,1-2H3,(H2,30,31,33).
What are the key properties of 1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea?
1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea has a molecular weight of 529.04 g/mol, XLogP of 5.32, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea is sourced from PubChem (CID 22667116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).