2-aminobenzamide;pyridine-3-carbaldehyde;2-pyridin-3-yl-3H-quinazolin-4-one

C26H22N6O3 — CID 157151825

IUPAC2-aminobenzamide;pyridine-3-carbaldehyde;2-pyridin-3-yl-3H-quinazolin-4-one
SMILESNC(=O)c1ccccc1N.O=Cc1cccnc1.O=c1[nH]c(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C13H9N3O.C7H8N2O.C6H5NO/c17-13-10-5-1-2-6-11(10)15-12(16-13)9-4-3-7-14-8-9;8-6-4-2-1-3-5(6)7(9)10;8-5-6-2-1-3-7-4-6/h1-8H,(H,15,16,17);1-4H,8H2,(H2,9,10);1-5H
InChIKeyALIOTCMFLIQDRT-UHFFFAOYSA-N
MW466.50 g/mol
LogP3.25
Rot. Bonds3

About 2-aminobenzamide;pyridine-3-carbaldehyde;2-pyridin-3-yl-3H-quinazolin-4-one

2-aminobenzamide;pyridine-3-carbaldehyde;2-pyridin-3-yl-3H-quinazolin-4-one (PubChem CID 157151825) has the molecular formula C26H22N6O3 and a molecular weight of 466.50 g/mol. Its IUPAC name is 2-aminobenzamide;pyridine-3-carbaldehyde;2-pyridin-3-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-aminobenzamide;pyridine-3-carbaldehyde;2-pyridin-3-yl-3H-quinazolin-4-one
PubChem CID157151825
Molecular FormulaC26H22N6O3
Molecular Weight466.50 g/mol
Exact Mass466.18
IUPAC Name2-aminobenzamide;pyridine-3-carbaldehyde;2-pyridin-3-yl-3H-quinazolin-4-one
SMILESNC(=O)c1ccccc1N.O=Cc1cccnc1.O=c1[nH]c(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C13H9N3O.C7H8N2O.C6H5NO/c17-13-10-5-1-2-6-11(10)15-12(16-13)9-4-3-7-14-8-9;8-6-4-2-1-3-5(6)7(9)10;8-5-6-2-1-3-7-4-6/h1-8H,(H,15,16,17);1-4H,8H2,(H2,9,10);1-5H
InChIKeyALIOTCMFLIQDRT-UHFFFAOYSA-N
XLogP3.25
TPSA157.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminobenzamide;pyridine-3-carbaldehyde;2-pyridin-3-yl-3H-quinazolin-4-one?
The IUPAC name of 2-aminobenzamide;pyridine-3-carbaldehyde;2-pyridin-3-yl-3H-quinazolin-4-one (CID 157151825) is 2-aminobenzamide;pyridine-3-carbaldehyde;2-pyridin-3-yl-3H-quinazolin-4-one.
What is the SMILES notation for 2-aminobenzamide;pyridine-3-carbaldehyde;2-pyridin-3-yl-3H-quinazolin-4-one?
The canonical SMILES for 2-aminobenzamide;pyridine-3-carbaldehyde;2-pyridin-3-yl-3H-quinazolin-4-one is NC(=O)c1ccccc1N.O=Cc1cccnc1.O=c1[nH]c(-c2cccnc2)nc2ccccc12.
What is the InChIKey of 2-aminobenzamide;pyridine-3-carbaldehyde;2-pyridin-3-yl-3H-quinazolin-4-one?
The InChIKey is ALIOTCMFLIQDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O.C7H8N2O.C6H5NO/c17-13-10-5-1-2-6-11(10)15-12(16-13)9-4-3-7-14-8-9;8-6-4-2-1-3-5(6)7(9)10;8-5-6-2-1-3-7-4-6/h1-8H,(H,15,16,17);1-4H,8H2,(H2,9,10);1-5H.
What are the key properties of 2-aminobenzamide;pyridine-3-carbaldehyde;2-pyridin-3-yl-3H-quinazolin-4-one?
2-aminobenzamide;pyridine-3-carbaldehyde;2-pyridin-3-yl-3H-quinazolin-4-one has a molecular weight of 466.50 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzamide;pyridine-3-carbaldehyde;2-pyridin-3-yl-3H-quinazolin-4-one is sourced from PubChem (CID 157151825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).