N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide

C25H23N3O5 — CID 57401805

IUPACN-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1
InChIInChI=1S/C25H23N3O5/c1-30-19-6-4-5-16(11-19)12-24(29)28-17-7-9-18(10-8-17)33-25-20-13-22(31-2)23(32-3)14-21(20)26-15-27-25/h4-11,13-15H,12H2,1-3H3,(H,28,29)
InChIKeyOVTHZKRCTBBAOW-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.63
Rot. Bonds8

About N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide

N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 57401805) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide
PubChem CID57401805
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC NameN-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1
InChIInChI=1S/C25H23N3O5/c1-30-19-6-4-5-16(11-19)12-24(29)28-17-7-9-18(10-8-17)33-25-20-13-22(31-2)23(32-3)14-21(20)26-15-27-25/h4-11,13-15H,12H2,1-3H3,(H,28,29)
InChIKeyOVTHZKRCTBBAOW-UHFFFAOYSA-N
XLogP4.63
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide (CID 57401805) is N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1.
What is the InChIKey of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is OVTHZKRCTBBAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-30-19-6-4-5-16(11-19)12-24(29)28-17-7-9-18(10-8-17)33-25-20-13-22(31-2)23(32-3)14-21(20)26-15-27-25/h4-11,13-15H,12H2,1-3H3,(H,28,29).
What are the key properties of N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide?
N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 445.48 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 57401805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).