5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one

C16H14Cl2N4O2 — CID 23651960

IUPAC5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one
SMILESO=c1c2c(Cl)cc(Cl)c(O)c2ncn1CCNCc1ccncc1
InChIInChI=1S/C16H14Cl2N4O2/c17-11-7-12(18)15(23)14-13(11)16(24)22(9-21-14)6-5-20-8-10-1-3-19-4-2-10/h1-4,7,9,20,23H,5-6,8H2
InChIKeyXKOBQSBUWUTHOF-UHFFFAOYSA-N
MW365.22 g/mol
LogP2.59
Rot. Bonds5

About 5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one

5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one (PubChem CID 23651960) has the molecular formula C16H14Cl2N4O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is 5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one
PubChem CID23651960
Molecular FormulaC16H14Cl2N4O2
Molecular Weight365.22 g/mol
Exact Mass364.05
IUPAC Name5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one
SMILESO=c1c2c(Cl)cc(Cl)c(O)c2ncn1CCNCc1ccncc1
InChIInChI=1S/C16H14Cl2N4O2/c17-11-7-12(18)15(23)14-13(11)16(24)22(9-21-14)6-5-20-8-10-1-3-19-4-2-10/h1-4,7,9,20,23H,5-6,8H2
InChIKeyXKOBQSBUWUTHOF-UHFFFAOYSA-N
XLogP2.59
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one;dihydrobromide
CID 23651959
5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one
CID 11580840
5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one
CID 91258270
5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide
CID 162321762
5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide
CID 143114070
3-[(E)-but-2-enyl]-5,7-dichloro-8-hydroxyquinazolin-4-one;hydrobromide
CID 162321860
5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 23651812
5,6-dichloro-3-(2-pyridin-4-ylethyl)pyrimidin-4-one
CID 114583127
5,7-dichloro-8-methoxy-3-propylquinazolin-4-one
CID 59726087
5,7-dichloro-8-hydroxy-3-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-one
CID 59726041
5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one
CID 11638623
5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one
CID 11516198

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one?
The IUPAC name of 5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one (CID 23651960) is 5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one is O=c1c2c(Cl)cc(Cl)c(O)c2ncn1CCNCc1ccncc1.
What is the InChIKey of 5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one?
The InChIKey is XKOBQSBUWUTHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2/c17-11-7-12(18)15(23)14-13(11)16(24)22(9-21-14)6-5-20-8-10-1-3-19-4-2-10/h1-4,7,9,20,23H,5-6,8H2.
What are the key properties of 5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one?
5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one has a molecular weight of 365.22 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 23651960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).