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

C23H17F2N5O5 — CID 11634384

IUPACN-[[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide
SMILESCOc1cc2ncnc(Oc3ccc(NC(=O)NC(=O)c4c(F)cccc4F)nc3)c2cc1OC
InChIInChI=1S/C23H17F2N5O5/c1-33-17-8-13-16(9-18(17)34-2)27-11-28-22(13)35-12-6-7-19(26-10-12)29-23(32)30-21(31)20-14(24)4-3-5-15(20)25/h3-11H,1-2H3,(H2,26,29,30,31,32)
InChIKeyIGGWQFFEYOUHMY-UHFFFAOYSA-N
MW481.42 g/mol
LogP4.07
Rot. Bonds6

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

N-[[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 11634384) has the molecular formula C23H17F2N5O5 and a molecular weight of 481.42 g/mol. Its IUPAC name is N-[[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID11634384
Molecular FormulaC23H17F2N5O5
Molecular Weight481.42 g/mol
Exact Mass481.12
IUPAC NameN-[[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide
SMILESCOc1cc2ncnc(Oc3ccc(NC(=O)NC(=O)c4c(F)cccc4F)nc3)c2cc1OC
InChIInChI=1S/C23H17F2N5O5/c1-33-17-8-13-16(9-18(17)34-2)27-11-28-22(13)35-12-6-7-19(26-10-12)29-23(32)30-21(31)20-14(24)4-3-5-15(20)25/h3-11H,1-2H3,(H2,26,29,30,31,32)
InChIKeyIGGWQFFEYOUHMY-UHFFFAOYSA-N
XLogP4.07
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide (CID 11634384) is N-[[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide is COc1cc2ncnc(Oc3ccc(NC(=O)NC(=O)c4c(F)cccc4F)nc3)c2cc1OC.
What is the InChIKey of N-[[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is IGGWQFFEYOUHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O5/c1-33-17-8-13-16(9-18(17)34-2)27-11-28-22(13)35-12-6-7-19(26-10-12)29-23(32)30-21(31)20-14(24)4-3-5-15(20)25/h3-11H,1-2H3,(H2,26,29,30,31,32).
What are the key properties of N-[[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
N-[[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 481.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 11634384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).