6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one

C14H20ClN3O — CID 10826712

IUPAC6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one
SMILESCCN(CC)CCN1CNc2ccc(Cl)cc2C1=O
InChIInChI=1S/C14H20ClN3O/c1-3-17(4-2)7-8-18-10-16-13-6-5-11(15)9-12(13)14(18)19/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyVNOJYJCSJXOVPA-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.51
Rot. Bonds5

About 6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one

6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one (PubChem CID 10826712) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one
PubChem CID10826712
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one
SMILESCCN(CC)CCN1CNc2ccc(Cl)cc2C1=O
InChIInChI=1S/C14H20ClN3O/c1-3-17(4-2)7-8-18-10-16-13-6-5-11(15)9-12(13)14(18)19/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyVNOJYJCSJXOVPA-UHFFFAOYSA-N
XLogP2.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one (CID 10826712) is 6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one is CCN(CC)CCN1CNc2ccc(Cl)cc2C1=O.
What is the InChIKey of 6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is VNOJYJCSJXOVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-17(4-2)7-8-18-10-16-13-6-5-11(15)9-12(13)14(18)19/h5-6,9,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one?
6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 281.79 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 10826712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).