2-[2-(4-oxo-3-pyridin-2-ylquinazolin-2-yl)ethyl]isoindole-1,3-dione

C23H16N4O3 — CID 1366110

IUPAC2-[2-(4-oxo-3-pyridin-2-ylquinazolin-2-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1-c1ccccn1
InChIInChI=1S/C23H16N4O3/c28-21-15-7-1-2-8-16(15)22(29)26(21)14-12-20-25-18-10-4-3-9-17(18)23(30)27(20)19-11-5-6-13-24-19/h1-11,13H,12,14H2
InChIKeyWVQMUNBZTGQICV-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.62
Rot. Bonds4

About 2-[2-(4-oxo-3-pyridin-2-ylquinazolin-2-yl)ethyl]isoindole-1,3-dione

2-[2-(4-oxo-3-pyridin-2-ylquinazolin-2-yl)ethyl]isoindole-1,3-dione (PubChem CID 1366110) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-[2-(4-oxo-3-pyridin-2-ylquinazolin-2-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-oxo-3-pyridin-2-ylquinazolin-2-yl)ethyl]isoindole-1,3-dione
PubChem CID1366110
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC Name2-[2-(4-oxo-3-pyridin-2-ylquinazolin-2-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1-c1ccccn1
InChIInChI=1S/C23H16N4O3/c28-21-15-7-1-2-8-16(15)22(29)26(21)14-12-20-25-18-10-4-3-9-17(18)23(30)27(20)19-11-5-6-13-24-19/h1-11,13H,12,14H2
InChIKeyWVQMUNBZTGQICV-UHFFFAOYSA-N
XLogP2.62
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

7-(2,3-Dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-2,3-dihydro-2,2-dimethyl-1-[(1R)-1-phenylethyl]-4(1H)-quinazolinone
CID 91933875
2,2-Dimethyl-7-(2-Oxidanylidene-3~{h}-Imidazo[4,5-B]pyridin-1-Yl)-1-(Phenylmethyl)-3~{h}-Quinazolin-4-One
CID 118409668
4-Methyl-2-phthalimidopyridine
CID 10999049
Src-820 R
CID 63120
((E)-3-benzyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4-(3H)-one)
CID 5738263
N'-(Pyrrolidino(2,1-B)Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea
CID 445840
CL-385004
CID 9954905
5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135463744
3-Phenethyl-2-((E)-2-pyridin-3-yl-vinyl)-3H-quinazolin-4-one
CID 5293677
N-[3-[6-(3-pyrrolidin-1-ylpropylamino)-3-pyridinyl]phenyl]benzamide
CID 44526802
4(3H)-Quinazolinone, 2-methyl-3-(2-pyridyl)-
CID 64049
2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 10093232

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-oxo-3-pyridin-2-ylquinazolin-2-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4-oxo-3-pyridin-2-ylquinazolin-2-yl)ethyl]isoindole-1,3-dione (CID 1366110) is 2-[2-(4-oxo-3-pyridin-2-ylquinazolin-2-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-oxo-3-pyridin-2-ylquinazolin-2-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-oxo-3-pyridin-2-ylquinazolin-2-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1-c1ccccn1.
What is the InChIKey of 2-[2-(4-oxo-3-pyridin-2-ylquinazolin-2-yl)ethyl]isoindole-1,3-dione?
The InChIKey is WVQMUNBZTGQICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3/c28-21-15-7-1-2-8-16(15)22(29)26(21)14-12-20-25-18-10-4-3-9-17(18)23(30)27(20)19-11-5-6-13-24-19/h1-11,13H,12,14H2.
What are the key properties of 2-[2-(4-oxo-3-pyridin-2-ylquinazolin-2-yl)ethyl]isoindole-1,3-dione?
2-[2-(4-oxo-3-pyridin-2-ylquinazolin-2-yl)ethyl]isoindole-1,3-dione has a molecular weight of 396.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-oxo-3-pyridin-2-ylquinazolin-2-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 1366110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).