1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea

C30H29N5O5 — CID 22936388

IUPAC1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Oc3ccnc4cc(OCCN5CCOCC5)c(C#N)cc34)cc2)cc1
InChIInChI=1S/C30H29N5O5/c1-37-24-6-2-22(3-7-24)33-30(36)34-23-4-8-25(9-5-23)40-28-10-11-32-27-19-29(21(20-31)18-26(27)28)39-17-14-35-12-15-38-16-13-35/h2-11,18-19H,12-17H2,1H3,(H2,33,34,36)
InChIKeyAGHDBFLEWWIYOP-UHFFFAOYSA-N
MW539.59 g/mol
LogP5.26
Rot. Bonds9

About 1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea

1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea (PubChem CID 22936388) has the molecular formula C30H29N5O5 and a molecular weight of 539.59 g/mol. Its IUPAC name is 1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
PubChem CID22936388
Molecular FormulaC30H29N5O5
Molecular Weight539.59 g/mol
Exact Mass539.22
IUPAC Name1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Oc3ccnc4cc(OCCN5CCOCC5)c(C#N)cc34)cc2)cc1
InChIInChI=1S/C30H29N5O5/c1-37-24-6-2-22(3-7-24)33-30(36)34-23-4-8-25(9-5-23)40-28-10-11-32-27-19-29(21(20-31)18-26(27)28)39-17-14-35-12-15-38-16-13-35/h2-11,18-19H,12-17H2,1H3,(H2,33,34,36)
InChIKeyAGHDBFLEWWIYOP-UHFFFAOYSA-N
XLogP5.26
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.59
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea with MolForge

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Related Compounds

1-[4-[6-cyano-7-(2-hydroperoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 89337862
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-phenylurea
CID 22936365
1-[4-[6-isocyano-7-(2-pyrrolidin-1-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 58930827
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 22936843
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(cyclopropylmethyl)urea
CID 10137662
1-(3,3-dimethylbutyl)-3-[4-[6-methoxy-7-(4-morpholin-4-ylbutoxy)quinolin-4-yl]oxyphenyl]urea
CID 23022711
1-[4-[7-(3-chloropropoxy)-6-methylquinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 58674850
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 87308076
1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 141472646
1-[1-(3,4-difluorophenyl)ethyl]-3-[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea
CID 10348434
1-[4-[6-cyano-7-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea
CID 67202785
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 22936794

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea (CID 22936388) is 1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(Oc3ccnc4cc(OCCN5CCOCC5)c(C#N)cc34)cc2)cc1.
What is the InChIKey of 1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea?
The InChIKey is AGHDBFLEWWIYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O5/c1-37-24-6-2-22(3-7-24)33-30(36)34-23-4-8-25(9-5-23)40-28-10-11-32-27-19-29(21(20-31)18-26(27)28)39-17-14-35-12-15-38-16-13-35/h2-11,18-19H,12-17H2,1H3,(H2,33,34,36).
What are the key properties of 1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea?
1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea has a molecular weight of 539.59 g/mol, XLogP of 5.26, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 22936388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).