8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one

C20H22ClN3O — CID 22484708

IUPAC8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one
SMILESCCNC(C)Cn1c(-c2ccc(C)cc2)nc2c(Cl)cccc2c1=O
InChIInChI=1S/C20H22ClN3O/c1-4-22-14(3)12-24-19(15-10-8-13(2)9-11-15)23-18-16(20(24)25)6-5-7-17(18)21/h5-11,14,22H,4,12H2,1-3H3
InChIKeyQCOWVHKZPKRRBC-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.02
Rot. Bonds5

About 8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one

8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one (PubChem CID 22484708) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one
PubChem CID22484708
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one
SMILESCCNC(C)Cn1c(-c2ccc(C)cc2)nc2c(Cl)cccc2c1=O
InChIInChI=1S/C20H22ClN3O/c1-4-22-14(3)12-24-19(15-10-8-13(2)9-11-15)23-18-16(20(24)25)6-5-7-17(18)21/h5-11,14,22H,4,12H2,1-3H3
InChIKeyQCOWVHKZPKRRBC-UHFFFAOYSA-N
XLogP4.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one (CID 22484708) is 8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one is CCNC(C)Cn1c(-c2ccc(C)cc2)nc2c(Cl)cccc2c1=O.
What is the InChIKey of 8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one?
The InChIKey is QCOWVHKZPKRRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-4-22-14(3)12-24-19(15-10-8-13(2)9-11-15)23-18-16(20(24)25)6-5-7-17(18)21/h5-11,14,22H,4,12H2,1-3H3.
What are the key properties of 8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one?
8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one has a molecular weight of 355.87 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 22484708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).