6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one

C21H24ClN3O — CID 22484661

IUPAC6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
SMILESCCN(CC)CCn1c(-c2ccc(C)cc2)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C21H24ClN3O/c1-4-24(5-2)12-13-25-20(16-8-6-15(3)7-9-16)23-19-11-10-17(22)14-18(19)21(25)26/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyGKRDWFJBSPESPV-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.37
Rot. Bonds6

About 6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one

6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one (PubChem CID 22484661) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
PubChem CID22484661
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
SMILESCCN(CC)CCn1c(-c2ccc(C)cc2)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C21H24ClN3O/c1-4-24(5-2)12-13-25-20(16-8-6-15(3)7-9-16)23-19-11-10-17(22)14-18(19)21(25)26/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyGKRDWFJBSPESPV-UHFFFAOYSA-N
XLogP4.37
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one (CID 22484661) is 6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one is CCN(CC)CCn1c(-c2ccc(C)cc2)nc2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one?
The InChIKey is GKRDWFJBSPESPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-4-24(5-2)12-13-25-20(16-8-6-15(3)7-9-16)23-19-11-10-17(22)14-18(19)21(25)26/h6-11,14H,4-5,12-13H2,1-3H3.
What are the key properties of 6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one?
6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one has a molecular weight of 369.90 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 22484661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).