5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide

C14H18BrCl2N3O2 — CID 162321762

IUPAC5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide
SMILESBr.CCN(CC)CCn1cnc2c(O)c(Cl)cc(Cl)c2c1=O
InChIInChI=1S/C14H17Cl2N3O2.BrH/c1-3-18(4-2)5-6-19-8-17-12-11(14(19)21)9(15)7-10(16)13(12)20;/h7-8,20H,3-6H2,1-2H3;1H
InChIKeyKBTAHAVVSUZDIM-UHFFFAOYSA-N
MW411.13 g/mol
LogP3.33
Rot. Bonds5

About 5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide

5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide (PubChem CID 162321762) has the molecular formula C14H18BrCl2N3O2 and a molecular weight of 411.13 g/mol. Its IUPAC name is 5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide.

Molecular Properties

Compound Name5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide
PubChem CID162321762
Molecular FormulaC14H18BrCl2N3O2
Molecular Weight411.13 g/mol
Exact Mass409.00
IUPAC Name5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide
SMILESBr.CCN(CC)CCn1cnc2c(O)c(Cl)cc(Cl)c2c1=O
InChIInChI=1S/C14H17Cl2N3O2.BrH/c1-3-18(4-2)5-6-19-8-17-12-11(14(19)21)9(15)7-10(16)13(12)20;/h7-8,20H,3-6H2,1-2H3;1H
InChIKeyKBTAHAVVSUZDIM-UHFFFAOYSA-N
XLogP3.33
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.13
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide?
The IUPAC name of 5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide (CID 162321762) is 5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide.
What is the SMILES notation for 5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide?
The canonical SMILES for 5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide is Br.CCN(CC)CCn1cnc2c(O)c(Cl)cc(Cl)c2c1=O.
What is the InChIKey of 5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide?
The InChIKey is KBTAHAVVSUZDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2.BrH/c1-3-18(4-2)5-6-19-8-17-12-11(14(19)21)9(15)7-10(16)13(12)20;/h7-8,20H,3-6H2,1-2H3;1H.
What are the key properties of 5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide?
5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide has a molecular weight of 411.13 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide is sourced from PubChem (CID 162321762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).