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

C24H18N4O3 — CID 2973126

IUPAC2-[1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione
SMILESCCC(c1nc2ccccc2c(=O)n1-c1cccnc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H18N4O3/c1-2-20(28-22(29)16-9-3-4-10-17(16)23(28)30)21-26-19-12-6-5-11-18(19)24(31)27(21)15-8-7-13-25-14-15/h3-14,20H,2H2,1H3
InChIKeyFQAHDGRESNMTFF-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.53
Rot. Bonds4

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

2-[1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione (PubChem CID 2973126) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-[1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione
PubChem CID2973126
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name2-[1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione
SMILESCCC(c1nc2ccccc2c(=O)n1-c1cccnc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H18N4O3/c1-2-20(28-22(29)16-9-3-4-10-17(16)23(28)30)21-26-19-12-6-5-11-18(19)24(31)27(21)15-8-7-13-25-14-15/h3-14,20H,2H2,1H3
InChIKeyFQAHDGRESNMTFF-UHFFFAOYSA-N
XLogP3.53
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

2-[(1R)-1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione
CID 1249694
2-[1-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]propyl]isoindole-1,3-dione
CID 2972435
2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
CID 94589125
2-[(1S)-1-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
CID 94589126
ethyl-[(1R)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azanium
CID 7395887
2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile
CID 17403779
methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate
CID 17403778
2-[(1S)-1-phenylpropyl]isoindole-1,3-dione
CID 174517685
N-[(2S)-3-methylbutan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 40584082
N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 17401059
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one
CID 4996568

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione (CID 2973126) is 2-[1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione is CCC(c1nc2ccccc2c(=O)n1-c1cccnc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione?
The InChIKey is FQAHDGRESNMTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c1-2-20(28-22(29)16-9-3-4-10-17(16)23(28)30)21-26-19-12-6-5-11-18(19)24(31)27(21)15-8-7-13-25-14-15/h3-14,20H,2H2,1H3.
What are the key properties of 2-[1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione?
2-[1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione has a molecular weight of 410.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 2973126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).