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

C24H20N2O5 — CID 11495362

IUPACphenyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Oc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C24H20N2O5/c1-28-22-14-19-20(15-23(22)29-2)25-13-12-21(19)30-18-10-8-16(9-11-18)26-24(27)31-17-6-4-3-5-7-17/h3-15H,1-2H3,(H,26,27)
InChIKeyKVDZJYLUBBYJIX-UHFFFAOYSA-N
MW416.43 g/mol
LogP5.66
Rot. Bonds6

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

phenyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate (PubChem CID 11495362) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is phenyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate
PubChem CID11495362
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Namephenyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Oc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C24H20N2O5/c1-28-22-14-19-20(15-23(22)29-2)25-13-12-21(19)30-18-10-8-16(9-11-18)26-24(27)31-17-6-4-3-5-7-17/h3-15H,1-2H3,(H,26,27)
InChIKeyKVDZJYLUBBYJIX-UHFFFAOYSA-N
XLogP5.66
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.43
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate?
The IUPAC name of phenyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate (CID 11495362) is phenyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate.
What is the SMILES notation for phenyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate?
The canonical SMILES for phenyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate is COc1cc2nccc(Oc3ccc(NC(=O)Oc4ccccc4)cc3)c2cc1OC.
What is the InChIKey of phenyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate?
The InChIKey is KVDZJYLUBBYJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-28-22-14-19-20(15-23(22)29-2)25-13-12-21(19)30-18-10-8-16(9-11-18)26-24(27)31-17-6-4-3-5-7-17/h3-15H,1-2H3,(H,26,27).
What are the key properties of phenyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate?
phenyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate has a molecular weight of 416.43 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamate is sourced from PubChem (CID 11495362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).