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

C21H19N3O2 — CID 41316271

IUPAC3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one
SMILESCCCn1cc(C(=O)Cn2cnc3ccccc3c2=O)c2ccccc21
InChIInChI=1S/C21H19N3O2/c1-2-11-23-12-17(15-7-4-6-10-19(15)23)20(25)13-24-14-22-18-9-5-3-8-16(18)21(24)26/h3-10,12,14H,2,11,13H2,1H3
InChIKeyZSYSBCMUKRPAIX-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.64
Rot. Bonds5

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

3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one (PubChem CID 41316271) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one
PubChem CID41316271
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one
SMILESCCCn1cc(C(=O)Cn2cnc3ccccc3c2=O)c2ccccc21
InChIInChI=1S/C21H19N3O2/c1-2-11-23-12-17(15-7-4-6-10-19(15)23)20(25)13-24-14-22-18-9-5-3-8-16(18)21(24)26/h3-10,12,14H,2,11,13H2,1H3
InChIKeyZSYSBCMUKRPAIX-UHFFFAOYSA-N
XLogP3.64
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-propylquinazolin-4-one
CID 529124
3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 17436537
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one
CID 7628285
3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one
CID 4809023
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
3-[2-(1-acetylindol-3-yl)ethyl]quinazolin-4-one
CID 86115850
N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide
CID 9464349
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995265
(1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 9405619
3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
CID 7628279

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one (CID 41316271) is 3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one is CCCn1cc(C(=O)Cn2cnc3ccccc3c2=O)c2ccccc21.
What is the InChIKey of 3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one?
The InChIKey is ZSYSBCMUKRPAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-11-23-12-17(15-7-4-6-10-19(15)23)20(25)13-24-14-22-18-9-5-3-8-16(18)21(24)26/h3-10,12,14H,2,11,13H2,1H3.
What are the key properties of 3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one?
3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one has a molecular weight of 345.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(1-propylindol-3-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 41316271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).