2-(4-chlorophenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one

C23H19ClN2O2 — CID 1391056

IUPAC2-(4-chlorophenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one
SMILESCc1ccccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C23H19ClN2O2/c1-16-6-2-5-9-21(16)28-15-14-26-22(17-10-12-18(24)13-11-17)25-20-8-4-3-7-19(20)23(26)27/h2-13H,14-15H2,1H3
InChIKeySJTFQXIOMUEILD-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.10
Rot. Bonds5

About 2-(4-chlorophenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one

2-(4-chlorophenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one (PubChem CID 1391056) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one
PubChem CID1391056
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name2-(4-chlorophenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one
SMILESCc1ccccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C23H19ClN2O2/c1-16-6-2-5-9-21(16)28-15-14-26-22(17-10-12-18(24)13-11-17)25-20-8-4-3-7-19(20)23(26)27/h2-13H,14-15H2,1H3
InChIKeySJTFQXIOMUEILD-UHFFFAOYSA-N
XLogP5.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Erastin
CID 11214940
2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylquinazolin-4(3H)-one
CID 11502343
3-Methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11516386
8-chloro-2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3-methylquinazolin-4(3H)-one
CID 11618702
3-Benzyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11641036
3-Isopropyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11668594
3-Ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11689687
2-(2-ethoxyphenyl)-4-(3H)-quinazolone
CID 136006573
N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-(4-chlorophenoxy)-N-(2-phenylethyl)acetamide
CID 5037142
7-chloro-3-hydroxy-2-(2-methoxyphenyl)-4(3H)-quinazolinone
CID 3756203
2-(4-chlorophenyl)-3-(4-(3-methoxyphenoxy)butyl)quinazolin-4(3H)-one
CID 1579988
2-(4-chlorophenyl)-3-(4-(2-ethoxyphenoxy)butyl)quinazolin-4(3H)-one
CID 1598042

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one (CID 1391056) is 2-(4-chlorophenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one is Cc1ccccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O.
What is the InChIKey of 2-(4-chlorophenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one?
The InChIKey is SJTFQXIOMUEILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-16-6-2-5-9-21(16)28-15-14-26-22(17-10-12-18(24)13-11-17)25-20-8-4-3-7-19(20)23(26)27/h2-13H,14-15H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one?
2-(4-chlorophenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one has a molecular weight of 390.87 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one is sourced from PubChem (CID 1391056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).