2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one

C13H8Cl2N2O — CID 76971091

IUPAC2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one
SMILESCc1cc(Cl)cc2c(=O)n3cccc(Cl)c3nc12
InChIInChI=1S/C13H8Cl2N2O/c1-7-5-8(14)6-9-11(7)16-12-10(15)3-2-4-17(12)13(9)18/h2-6H,1H3
InChIKeyHWZYDXZSGZCNEA-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.46
Rot. Bonds

About 2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one

2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one (PubChem CID 76971091) has the molecular formula C13H8Cl2N2O and a molecular weight of 279.13 g/mol. Its IUPAC name is 2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one
PubChem CID76971091
Molecular FormulaC13H8Cl2N2O
Molecular Weight279.13 g/mol
Exact Mass278.00
IUPAC Name2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one
SMILESCc1cc(Cl)cc2c(=O)n3cccc(Cl)c3nc12
InChIInChI=1S/C13H8Cl2N2O/c1-7-5-8(14)6-9-11(7)16-12-10(15)3-2-4-17(12)13(9)18/h2-6H,1H3
InChIKeyHWZYDXZSGZCNEA-UHFFFAOYSA-N
XLogP3.46
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one (CID 76971091) is 2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one is Cc1cc(Cl)cc2c(=O)n3cccc(Cl)c3nc12.
What is the InChIKey of 2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one?
The InChIKey is HWZYDXZSGZCNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O/c1-7-5-8(14)6-9-11(7)16-12-10(15)3-2-4-17(12)13(9)18/h2-6H,1H3.
What are the key properties of 2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one?
2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one has a molecular weight of 279.13 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 76971091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).