2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one

C19H17N3O2 — CID 135659956

IUPAC2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCc2ccccc21
InChIInChI=1S/C19H17N3O2/c23-18(22-12-11-13-5-1-4-8-16(13)22)10-9-17-20-15-7-3-2-6-14(15)19(24)21-17/h1-8H,9-12H2,(H,20,21,24)
InChIKeyPMRJWJYDRXHBRT-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.44
Rot. Bonds3

About 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one

2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one (PubChem CID 135659956) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
PubChem CID135659956
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCc2ccccc21
InChIInChI=1S/C19H17N3O2/c23-18(22-12-11-13-5-1-4-8-16(13)22)10-9-17-20-15-7-3-2-6-14(15)19(24)21-17/h1-8H,9-12H2,(H,20,21,24)
InChIKeyPMRJWJYDRXHBRT-UHFFFAOYSA-N
XLogP2.44
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135516218
2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one
CID 135922620
2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 137289756
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-[3-(7-methylsulfanyl-1,4-diazepan-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 142398190
(2-oxo-2-piperidin-1-ylethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135464919
2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 137289698
2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 137303622
3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one
CID 8849754
2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135739653
1-(2,3-dihydroindol-1-yl)-2-(2-phenylquinazolin-4-yl)sulfanylethanone
CID 3181608

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one (CID 135659956) is 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one is O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCc2ccccc21.
What is the InChIKey of 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one?
The InChIKey is PMRJWJYDRXHBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-18(22-12-11-13-5-1-4-8-16(13)22)10-9-17-20-15-7-3-2-6-14(15)19(24)21-17/h1-8H,9-12H2,(H,20,21,24).
What are the key properties of 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one?
2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one has a molecular weight of 319.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135659956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).