N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide

C24H18F2N4O5 — CID 11591094

IUPACN-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NC(=O)c4c(F)cccc4F)nc3)c2cc1OC
InChIInChI=1S/C24H18F2N4O5/c1-33-19-10-14-17(11-20(19)34-2)27-9-8-18(14)35-13-6-7-21(28-12-13)29-24(32)30-23(31)22-15(25)4-3-5-16(22)26/h3-12H,1-2H3,(H2,28,29,30,31,32)
InChIKeyYNVDGNMISSEEAV-UHFFFAOYSA-N
MW480.43 g/mol
LogP4.68
Rot. Bonds6

About N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide

N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 11591094) has the molecular formula C24H18F2N4O5 and a molecular weight of 480.43 g/mol. Its IUPAC name is N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID11591094
Molecular FormulaC24H18F2N4O5
Molecular Weight480.43 g/mol
Exact Mass480.12
IUPAC NameN-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NC(=O)c4c(F)cccc4F)nc3)c2cc1OC
InChIInChI=1S/C24H18F2N4O5/c1-33-19-10-14-17(11-20(19)34-2)27-9-8-18(14)35-13-6-7-21(28-12-13)29-24(32)30-23(31)22-15(25)4-3-5-16(22)26/h3-12H,1-2H3,(H2,28,29,30,31,32)
InChIKeyYNVDGNMISSEEAV-UHFFFAOYSA-N
XLogP4.68
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.43
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide (CID 11591094) is N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide is COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)c4c(F)cccc4F)nc3)c2cc1OC.
What is the InChIKey of N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is YNVDGNMISSEEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O5/c1-33-19-10-14-17(11-20(19)34-2)27-9-8-18(14)35-13-6-7-21(28-12-13)29-24(32)30-23(31)22-15(25)4-3-5-16(22)26/h3-12H,1-2H3,(H2,28,29,30,31,32).
What are the key properties of N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 480.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 11591094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).