6-(6,7-dimethoxyquinazolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide

C24H23N3O5 — CID 24823252

IUPAC6-(6,7-dimethoxyquinazolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide
SMILESCOCCNC(=O)c1cccc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
InChIInChI=1S/C24H23N3O5/c1-29-10-9-25-23(28)18-6-4-5-15-11-16(7-8-17(15)18)32-24-19-12-21(30-2)22(31-3)13-20(19)26-14-27-24/h4-8,11-14H,9-10H2,1-3H3,(H,25,28)
InChIKeyPGINJTUIQUFAPP-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.97
Rot. Bonds8

About 6-(6,7-dimethoxyquinazolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide

6-(6,7-dimethoxyquinazolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide (PubChem CID 24823252) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinazolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinazolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide
PubChem CID24823252
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name6-(6,7-dimethoxyquinazolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide
SMILESCOCCNC(=O)c1cccc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
InChIInChI=1S/C24H23N3O5/c1-29-10-9-25-23(28)18-6-4-5-15-11-16(7-8-17(15)18)32-24-19-12-21(30-2)22(31-3)13-20(19)26-14-27-24/h4-8,11-14H,9-10H2,1-3H3,(H,25,28)
InChIKeyPGINJTUIQUFAPP-UHFFFAOYSA-N
XLogP3.97
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxyquinazolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide?
The IUPAC name of 6-(6,7-dimethoxyquinazolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide (CID 24823252) is 6-(6,7-dimethoxyquinazolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(6,7-dimethoxyquinazolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(6,7-dimethoxyquinazolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide is COCCNC(=O)c1cccc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12.
What is the InChIKey of 6-(6,7-dimethoxyquinazolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide?
The InChIKey is PGINJTUIQUFAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-29-10-9-25-23(28)18-6-4-5-15-11-16(7-8-17(15)18)32-24-19-12-21(30-2)22(31-3)13-20(19)26-14-27-24/h4-8,11-14H,9-10H2,1-3H3,(H,25,28).
What are the key properties of 6-(6,7-dimethoxyquinazolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide?
6-(6,7-dimethoxyquinazolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxyquinazolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 24823252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).