3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one

C20H17N3O2 — CID 86115850

IUPAC3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one
SMILESCC(=O)n1cc(CCn2cnc3ccccc3c2=O)c2ccccc21
InChIInChI=1S/C20H17N3O2/c1-14(24)23-12-15(16-6-3-5-9-19(16)23)10-11-22-13-21-18-8-4-2-7-17(18)20(22)25/h2-9,12-13H,10-11H2,1H3
InChIKeyHHPVWDZMOVXUEF-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.25
Rot. Bonds3

About 3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one

3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one (PubChem CID 86115850) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one
PubChem CID86115850
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one
SMILESCC(=O)n1cc(CCn2cnc3ccccc3c2=O)c2ccccc21
InChIInChI=1S/C20H17N3O2/c1-14(24)23-12-15(16-6-3-5-9-19(16)23)10-11-22-13-21-18-8-4-2-7-17(18)20(22)25/h2-9,12-13H,10-11H2,1H3
InChIKeyHHPVWDZMOVXUEF-UHFFFAOYSA-N
XLogP3.25
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-propylquinazolin-4-one
CID 529124
3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one
CID 41316271
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976
3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
2-(1-acetylindol-3-yl)-1-phenylethanone
CID 15749679
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269
2-[3-(4-oxoquinazolin-3-yl)propanoyl-propan-2-ylamino]acetic acid
CID 119198315
3-(5-aminopentyl)quinazolin-4-one
CID 54965918

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one (CID 86115850) is 3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one is CC(=O)n1cc(CCn2cnc3ccccc3c2=O)c2ccccc21.
What is the InChIKey of 3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one?
The InChIKey is HHPVWDZMOVXUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-14(24)23-12-15(16-6-3-5-9-19(16)23)10-11-22-13-21-18-8-4-2-7-17(18)20(22)25/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one?
3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one has a molecular weight of 331.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 86115850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).