3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one

C24H18ClN3O — CID 14843028

IUPAC3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1cccc(Cl)c1
InChIInChI=1S/C24H18ClN3O/c25-17-6-5-7-18(14-17)28-23(27-22-11-4-2-9-20(22)24(28)29)13-12-16-15-26-21-10-3-1-8-19(16)21/h1-11,14-15,26H,12-13H2
InChIKeyQEIOFFTWROGOHN-UHFFFAOYSA-N
MW399.88 g/mol
LogP5.31
Rot. Bonds4

About 3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one

3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one (PubChem CID 14843028) has the molecular formula C24H18ClN3O and a molecular weight of 399.88 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one
PubChem CID14843028
Molecular FormulaC24H18ClN3O
Molecular Weight399.88 g/mol
Exact Mass399.11
IUPAC Name3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1cccc(Cl)c1
InChIInChI=1S/C24H18ClN3O/c25-17-6-5-7-18(14-17)28-23(27-22-11-4-2-9-20(22)24(28)29)13-12-16-15-26-21-10-3-1-8-19(16)21/h1-11,14-15,26H,12-13H2
InChIKeyQEIOFFTWROGOHN-UHFFFAOYSA-N
XLogP5.31
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one (CID 14843028) is 3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one is O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one?
The InChIKey is QEIOFFTWROGOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O/c25-17-6-5-7-18(14-17)28-23(27-22-11-4-2-9-20(22)24(28)29)13-12-16-15-26-21-10-3-1-8-19(16)21/h1-11,14-15,26H,12-13H2.
What are the key properties of 3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one?
3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one has a molecular weight of 399.88 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 14843028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).