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

C26H23N3O — CID 14843031

IUPAC3-(3-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one
SMILESCCc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1
InChIInChI=1S/C26H23N3O/c1-2-18-8-7-9-20(16-18)29-25(28-24-13-6-4-11-22(24)26(29)30)15-14-19-17-27-23-12-5-3-10-21(19)23/h3-13,16-17,27H,2,14-15H2,1H3
InChIKeyBCWLFJQAUBDCKQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.21
Rot. Bonds5

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

3-(3-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one (PubChem CID 14843031) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one
PubChem CID14843031
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name3-(3-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one
SMILESCCc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1
InChIInChI=1S/C26H23N3O/c1-2-18-8-7-9-20(16-18)29-25(28-24-13-6-4-11-22(24)26(29)30)15-14-19-17-27-23-12-5-3-10-21(19)23/h3-13,16-17,27H,2,14-15H2,1H3
InChIKeyBCWLFJQAUBDCKQ-UHFFFAOYSA-N
XLogP5.21
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one?
The IUPAC name of 3-(3-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one (CID 14843031) is 3-(3-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 3-(3-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one is CCc1cccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1.
What is the InChIKey of 3-(3-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one?
The InChIKey is BCWLFJQAUBDCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-2-18-8-7-9-20(16-18)29-25(28-24-13-6-4-11-22(24)26(29)30)15-14-19-17-27-23-12-5-3-10-21(19)23/h3-13,16-17,27H,2,14-15H2,1H3.
What are the key properties of 3-(3-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one?
3-(3-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one has a molecular weight of 393.49 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 14843031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).