2-cyclohexylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate

C26H30N2O5 — CID 11690947

IUPAC2-cyclohexylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)OCCC4CCCCC4)cc3)c2cc1OC
InChIInChI=1S/C26H30N2O5/c1-30-24-16-21-22(17-25(24)31-2)27-14-12-23(21)33-20-10-8-19(9-11-20)28-26(29)32-15-13-18-6-4-3-5-7-18/h8-12,14,16-18H,3-7,13,15H2,1-2H3,(H,28,29)
InChIKeyNVXYJRPMNZXXML-UHFFFAOYSA-N
MW450.54 g/mol
LogP6.56
Rot. Bonds8

About 2-cyclohexylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate

2-cyclohexylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate (PubChem CID 11690947) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-cyclohexylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate.

Molecular Properties

Compound Name2-cyclohexylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate
PubChem CID11690947
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Name2-cyclohexylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)OCCC4CCCCC4)cc3)c2cc1OC
InChIInChI=1S/C26H30N2O5/c1-30-24-16-21-22(17-25(24)31-2)27-14-12-23(21)33-20-10-8-19(9-11-20)28-26(29)32-15-13-18-6-4-3-5-7-18/h8-12,14,16-18H,3-7,13,15H2,1-2H3,(H,28,29)
InChIKeyNVXYJRPMNZXXML-UHFFFAOYSA-N
XLogP6.56
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 71576419
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2-(4-Chloro-3-(trifluoromethyl)phenyl)-N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)acetamide
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CID 9850161
Ki-11502
CID 11554659

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate?
The IUPAC name of 2-cyclohexylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate (CID 11690947) is 2-cyclohexylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate.
What is the SMILES notation for 2-cyclohexylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate?
The canonical SMILES for 2-cyclohexylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate is COc1cc2nccc(Oc3ccc(NC(=O)OCCC4CCCCC4)cc3)c2cc1OC.
What is the InChIKey of 2-cyclohexylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate?
The InChIKey is NVXYJRPMNZXXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-30-24-16-21-22(17-25(24)31-2)27-14-12-23(21)33-20-10-8-19(9-11-20)28-26(29)32-15-13-18-6-4-3-5-7-18/h8-12,14,16-18H,3-7,13,15H2,1-2H3,(H,28,29).
What are the key properties of 2-cyclohexylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate?
2-cyclohexylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate has a molecular weight of 450.54 g/mol, XLogP of 6.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate is sourced from PubChem (CID 11690947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).