7-chloro-4-[2-(dimethylamino)ethylamino]-1-phenylquinazolin-2-one

C18H19ClN4O — CID 147332495

IUPAC7-chloro-4-[2-(dimethylamino)ethylamino]-1-phenylquinazolin-2-one
SMILESCN(C)CCNc1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C18H19ClN4O/c1-22(2)11-10-20-17-15-9-8-13(19)12-16(15)23(18(24)21-17)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,21,24)
InChIKeyDBXUGFZRZAPDGR-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.01
Rot. Bonds5

About 7-chloro-4-[2-(dimethylamino)ethylamino]-1-phenylquinazolin-2-one

7-chloro-4-[2-(dimethylamino)ethylamino]-1-phenylquinazolin-2-one (PubChem CID 147332495) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 7-chloro-4-[2-(dimethylamino)ethylamino]-1-phenylquinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-[2-(dimethylamino)ethylamino]-1-phenylquinazolin-2-one
PubChem CID147332495
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name7-chloro-4-[2-(dimethylamino)ethylamino]-1-phenylquinazolin-2-one
SMILESCN(C)CCNc1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C18H19ClN4O/c1-22(2)11-10-20-17-15-9-8-13(19)12-16(15)23(18(24)21-17)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,21,24)
InChIKeyDBXUGFZRZAPDGR-UHFFFAOYSA-N
XLogP3.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[2-(dimethylamino)ethylamino]-1-phenylquinazolin-2-one?
The IUPAC name of 7-chloro-4-[2-(dimethylamino)ethylamino]-1-phenylquinazolin-2-one (CID 147332495) is 7-chloro-4-[2-(dimethylamino)ethylamino]-1-phenylquinazolin-2-one.
What is the SMILES notation for 7-chloro-4-[2-(dimethylamino)ethylamino]-1-phenylquinazolin-2-one?
The canonical SMILES for 7-chloro-4-[2-(dimethylamino)ethylamino]-1-phenylquinazolin-2-one is CN(C)CCNc1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-[2-(dimethylamino)ethylamino]-1-phenylquinazolin-2-one?
The InChIKey is DBXUGFZRZAPDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-22(2)11-10-20-17-15-9-8-13(19)12-16(15)23(18(24)21-17)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,21,24).
What are the key properties of 7-chloro-4-[2-(dimethylamino)ethylamino]-1-phenylquinazolin-2-one?
7-chloro-4-[2-(dimethylamino)ethylamino]-1-phenylquinazolin-2-one has a molecular weight of 342.83 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[2-(dimethylamino)ethylamino]-1-phenylquinazolin-2-one is sourced from PubChem (CID 147332495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).