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

C22H14N4O3 — CID 659588

IUPAC2-[(4-oxo-3-pyridin-3-ylquinazolin-2-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1cccnc1
InChIInChI=1S/C22H14N4O3/c27-20-15-7-1-2-8-16(15)21(28)25(20)13-19-24-18-10-4-3-9-17(18)22(29)26(19)14-6-5-11-23-12-14/h1-12H,13H2
InChIKeySGDBMPMIZUPABW-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.58
Rot. Bonds3

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

2-[(4-oxo-3-pyridin-3-ylquinazolin-2-yl)methyl]isoindole-1,3-dione (PubChem CID 659588) has the molecular formula C22H14N4O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-[(4-oxo-3-pyridin-3-ylquinazolin-2-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-oxo-3-pyridin-3-ylquinazolin-2-yl)methyl]isoindole-1,3-dione
PubChem CID659588
Molecular FormulaC22H14N4O3
Molecular Weight382.38 g/mol
Exact Mass382.11
IUPAC Name2-[(4-oxo-3-pyridin-3-ylquinazolin-2-yl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1cccnc1
InChIInChI=1S/C22H14N4O3/c27-20-15-7-1-2-8-16(15)21(28)25(20)13-19-24-18-10-4-3-9-17(18)22(29)26(19)14-6-5-11-23-12-14/h1-12H,13H2
InChIKeySGDBMPMIZUPABW-UHFFFAOYSA-N
XLogP2.58
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(4-oxo-3-pyridin-3-ylquinazolin-2-yl)methyl]isoindole-1,3-dione with MolForge

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Related Compounds

Luotonin A
CID 10334120
Fumiquinazoline F
CID 10089772
3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 5742213
3-(2-methylphenyl)-2-(2-(2-pyridinyl)ethenyl)-4(3H)-quinazolinone
CID 63114
((E)-3-benzyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4-(3H)-one)
CID 5738263
3-Phenethyl-2-((E)-2-pyridin-3-yl-vinyl)-3H-quinazolin-4-one
CID 5293677
Phthalimide, N-3-pyridyl-
CID 167793
2-(2-(Pyridin-2-yl)ethyl)-1H-isoindole-1,3(2H)-dione
CID 231380
2-Quinolin-8-ylisoindole-1,3-dione
CID 615346
2-(Pyridin-3-ylmethyl)isoindoline-1,3-dione
CID 709455
Piricualona
CID 6015423
Fumiquinazoline G
CID 10247811

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-3-pyridin-3-ylquinazolin-2-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(4-oxo-3-pyridin-3-ylquinazolin-2-yl)methyl]isoindole-1,3-dione (CID 659588) is 2-[(4-oxo-3-pyridin-3-ylquinazolin-2-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-oxo-3-pyridin-3-ylquinazolin-2-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-oxo-3-pyridin-3-ylquinazolin-2-yl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1cccnc1.
What is the InChIKey of 2-[(4-oxo-3-pyridin-3-ylquinazolin-2-yl)methyl]isoindole-1,3-dione?
The InChIKey is SGDBMPMIZUPABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O3/c27-20-15-7-1-2-8-16(15)21(28)25(20)13-19-24-18-10-4-3-9-17(18)22(29)26(19)14-6-5-11-23-12-14/h1-12H,13H2.
What are the key properties of 2-[(4-oxo-3-pyridin-3-ylquinazolin-2-yl)methyl]isoindole-1,3-dione?
2-[(4-oxo-3-pyridin-3-ylquinazolin-2-yl)methyl]isoindole-1,3-dione has a molecular weight of 382.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-3-pyridin-3-ylquinazolin-2-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 659588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).