N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]methyl]-3-methoxybenzamide

C25H23N3O5 — CID 57401804

IUPACN-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1
InChIInChI=1S/C25H23N3O5/c1-30-19-6-4-5-17(11-19)24(29)26-14-16-7-9-18(10-8-16)33-25-20-12-22(31-2)23(32-3)13-21(20)27-15-28-25/h4-13,15H,14H2,1-3H3,(H,26,29)
InChIKeyRYLLQWXUGUNWBE-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.38
Rot. Bonds8

About N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]methyl]-3-methoxybenzamide

N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]methyl]-3-methoxybenzamide (PubChem CID 57401804) 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]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]methyl]-3-methoxybenzamide
PubChem CID57401804
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC NameN-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1
InChIInChI=1S/C25H23N3O5/c1-30-19-6-4-5-17(11-19)24(29)26-14-16-7-9-18(10-8-16)33-25-20-12-22(31-2)23(32-3)13-21(20)27-15-28-25/h4-13,15H,14H2,1-3H3,(H,26,29)
InChIKeyRYLLQWXUGUNWBE-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
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]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]methyl]-3-methoxybenzamide (CID 57401804) is N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1.
What is the InChIKey of N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]methyl]-3-methoxybenzamide?
The InChIKey is RYLLQWXUGUNWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-30-19-6-4-5-17(11-19)24(29)26-14-16-7-9-18(10-8-16)33-25-20-12-22(31-2)23(32-3)13-21(20)27-15-28-25/h4-13,15H,14H2,1-3H3,(H,26,29).
What are the key properties of N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]methyl]-3-methoxybenzamide?
N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]methyl]-3-methoxybenzamide has a molecular weight of 445.48 g/mol, XLogP of 4.38, 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]methyl]-3-methoxybenzamide is sourced from PubChem (CID 57401804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).