2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide

C25H25N5O4 — CID 11719537

IUPAC2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide
SMILESCOc1cc2ncnc(Oc3ccc(CC(=O)Nc4ccc(N(C)C)cn4)cc3)c2cc1OC
InChIInChI=1S/C25H25N5O4/c1-30(2)17-7-10-23(26-14-17)29-24(31)11-16-5-8-18(9-6-16)34-25-19-12-21(32-3)22(33-4)13-20(19)27-15-28-25/h5-10,12-15H,11H2,1-4H3,(H,26,29,31)
InChIKeyOEZUXIBNCYTQAV-UHFFFAOYSA-N
MW459.51 g/mol
LogP4.08
Rot. Bonds8

About 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide

2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide (PubChem CID 11719537) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide
PubChem CID11719537
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide
SMILESCOc1cc2ncnc(Oc3ccc(CC(=O)Nc4ccc(N(C)C)cn4)cc3)c2cc1OC
InChIInChI=1S/C25H25N5O4/c1-30(2)17-7-10-23(26-14-17)29-24(31)11-16-5-8-18(9-6-16)34-25-19-12-21(32-3)22(33-4)13-20(19)27-15-28-25/h5-10,12-15H,11H2,1-4H3,(H,26,29,31)
InChIKeyOEZUXIBNCYTQAV-UHFFFAOYSA-N
XLogP4.08
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide (CID 11719537) is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide is COc1cc2ncnc(Oc3ccc(CC(=O)Nc4ccc(N(C)C)cn4)cc3)c2cc1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide?
The InChIKey is OEZUXIBNCYTQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-30(2)17-7-10-23(26-14-17)29-24(31)11-16-5-8-18(9-6-16)34-25-19-12-21(32-3)22(33-4)13-20(19)27-15-28-25/h5-10,12-15H,11H2,1-4H3,(H,26,29,31).
What are the key properties of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide?
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide has a molecular weight of 459.51 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[5-(dimethylamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 11719537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).