5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide

C16H14Cl2N4O3 — CID 143114070

IUPAC5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide
SMILESCCn1cnc2c(O)c(Cl)cc(Cl)c2c1=O.O=CNc1ccccn1
InChIInChI=1S/C10H8Cl2N2O2.C6H6N2O/c1-2-14-4-13-8-7(10(14)16)5(11)3-6(12)9(8)15;9-5-8-6-3-1-2-4-7-6/h3-4,15H,2H2,1H3;1-5H,(H,7,8,9)
InChIKeyNWOYEDLVUNFEEC-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.08
Rot. Bonds3

About 5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide

5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide (PubChem CID 143114070) has the molecular formula C16H14Cl2N4O3 and a molecular weight of 381.22 g/mol. Its IUPAC name is 5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide.

Molecular Properties

Compound Name5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide
PubChem CID143114070
Molecular FormulaC16H14Cl2N4O3
Molecular Weight381.22 g/mol
Exact Mass380.04
IUPAC Name5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide
SMILESCCn1cnc2c(O)c(Cl)cc(Cl)c2c1=O.O=CNc1ccccn1
InChIInChI=1S/C10H8Cl2N2O2.C6H6N2O/c1-2-14-4-13-8-7(10(14)16)5(11)3-6(12)9(8)15;9-5-8-6-3-1-2-4-7-6/h3-4,15H,2H2,1H3;1-5H,(H,7,8,9)
InChIKeyNWOYEDLVUNFEEC-UHFFFAOYSA-N
XLogP3.08
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide?
The IUPAC name of 5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide (CID 143114070) is 5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide.
What is the SMILES notation for 5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide?
The canonical SMILES for 5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide is CCn1cnc2c(O)c(Cl)cc(Cl)c2c1=O.O=CNc1ccccn1.
What is the InChIKey of 5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide?
The InChIKey is NWOYEDLVUNFEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2.C6H6N2O/c1-2-14-4-13-8-7(10(14)16)5(11)3-6(12)9(8)15;9-5-8-6-3-1-2-4-7-6/h3-4,15H,2H2,1H3;1-5H,(H,7,8,9).
What are the key properties of 5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide?
5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide has a molecular weight of 381.22 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide is sourced from PubChem (CID 143114070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).