1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea

C58H60N8O5 — CID 162244090

IUPAC1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.CCc1cccc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)c1
InChIInChI=1S/C29H30N4O3.C29H30N4O2/c1-2-36-28-10-6-5-9-27(28)32-29(34)31-26-14-13-23(24-7-3-4-8-25(24)26)21-11-12-22(30-19-21)20-33-15-17-35-18-16-33;1-2-21-6-5-7-23(18-21)31-29(34)32-28-13-12-25(26-8-3-4-9-27(26)28)22-10-11-24(30-19-22)20-33-14-16-35-17-15-33/h3-14,19H,2,15-18,20H2,1H3,(H2,31,32,34);3-13,18-19H,2,14-17,20H2,1H3,(H2,31,32,34)
InChIKeyZXCBQELLGUEELH-UHFFFAOYSA-N
MW949.17 g/mol
LogP11.72
Rot. Bonds13

About 1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea

1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (PubChem CID 162244090) has the molecular formula C58H60N8O5 and a molecular weight of 949.17 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
PubChem CID162244090
Molecular FormulaC58H60N8O5
Molecular Weight949.17 g/mol
Exact Mass948.47
IUPAC Name1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.CCc1cccc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)c1
InChIInChI=1S/C29H30N4O3.C29H30N4O2/c1-2-36-28-10-6-5-9-27(28)32-29(34)31-26-14-13-23(24-7-3-4-8-25(24)26)21-11-12-22(30-19-21)20-33-15-17-35-18-16-33;1-2-21-6-5-7-23(18-21)31-29(34)32-28-13-12-25(26-8-3-4-9-27(26)28)22-10-11-24(30-19-22)20-33-14-16-35-17-15-33/h3-14,19H,2,15-18,20H2,1H3,(H2,31,32,34);3-13,18-19H,2,14-17,20H2,1H3,(H2,31,32,34)
InChIKeyZXCBQELLGUEELH-UHFFFAOYSA-N
XLogP11.72
TPSA142.21 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.17
LogP ≤ 511.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea with MolForge

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Related Compounds

1-(2,5-diethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 22218068
3-ethoxycarbonyl-5-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid
CID 68908757
1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 160763698
1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea
CID 22217789
1-(2,3-difluoro-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 174370055
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 22217837
4-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid
CID 22217980
1-[2-(4-tert-butylphenyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 10312064
1-(4-cyanophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 22217756
1-(2-methoxy-4-nitrophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 22217909
1-[2-(difluoromethoxy)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(2-methyl-6-propan-2-ylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 159983897
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid
CID 161246403

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (CID 162244090) is 1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea is CCOc1ccccc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.CCc1cccc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)c1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The InChIKey is ZXCBQELLGUEELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3.C29H30N4O2/c1-2-36-28-10-6-5-9-27(28)32-29(34)31-26-14-13-23(24-7-3-4-8-25(24)26)21-11-12-22(30-19-21)20-33-15-17-35-18-16-33;1-2-21-6-5-7-23(18-21)31-29(34)32-28-13-12-25(26-8-3-4-9-27(26)28)22-10-11-24(30-19-22)20-33-14-16-35-17-15-33/h3-14,19H,2,15-18,20H2,1H3,(H2,31,32,34);3-13,18-19H,2,14-17,20H2,1H3,(H2,31,32,34).
What are the key properties of 1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea has a molecular weight of 949.17 g/mol, XLogP of 11.72, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea is sourced from PubChem (CID 162244090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).