3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea

C26H38N4O3 — CID 3194689

IUPAC3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
SMILESCCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C26H38N4O3/c1-2-20-9-10-24-21(17-20)18-22(25(31)28-24)19-30(12-6-11-29-13-15-33-16-14-29)26(32)27-23-7-4-3-5-8-23/h9-10,17-18,23H,2-8,11-16,19H2,1H3,(H,27,32)(H,28,31)
InChIKeyHQEXNFGZZPILSJ-UHFFFAOYSA-N
MW454.62 g/mol
LogP3.66
Rot. Bonds8

About 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea

3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea (PubChem CID 3194689) has the molecular formula C26H38N4O3 and a molecular weight of 454.62 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
PubChem CID3194689
Molecular FormulaC26H38N4O3
Molecular Weight454.62 g/mol
Exact Mass454.29
IUPAC Name3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
SMILESCCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C26H38N4O3/c1-2-20-9-10-24-21(17-20)18-22(25(31)28-24)19-30(12-6-11-29-13-15-33-16-14-29)26(32)27-23-7-4-3-5-8-23/h9-10,17-18,23H,2-8,11-16,19H2,1H3,(H,27,32)(H,28,31)
InChIKeyHQEXNFGZZPILSJ-UHFFFAOYSA-N
XLogP3.66
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea (CID 3194689) is 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea is CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)NC3CCCCC3)cc2c1.
What is the InChIKey of 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The InChIKey is HQEXNFGZZPILSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3/c1-2-20-9-10-24-21(17-20)18-22(25(31)28-24)19-30(12-6-11-29-13-15-33-16-14-29)26(32)27-23-7-4-3-5-8-23/h9-10,17-18,23H,2-8,11-16,19H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea has a molecular weight of 454.62 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 3194689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).