2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione

C25H20N4O3 — CID 94589125

IUPAC2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
SMILESCC[C@H](c1nc2ccccc2c(=O)n1-c1cc(C)ccn1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H20N4O3/c1-3-20(28-23(30)16-8-4-5-9-17(16)24(28)31)22-27-19-11-7-6-10-18(19)25(32)29(22)21-14-15(2)12-13-26-21/h4-14,20H,3H2,1-2H3/t20-/m1/s1
InChIKeyBFUASDJQBGDDLS-HXUWFJFHSA-N
MW424.46 g/mol
LogP3.84
Rot. Bonds4

About 2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione

2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione (PubChem CID 94589125) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
PubChem CID94589125
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
SMILESCC[C@H](c1nc2ccccc2c(=O)n1-c1cc(C)ccn1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H20N4O3/c1-3-20(28-23(30)16-8-4-5-9-17(16)24(28)31)22-27-19-11-7-6-10-18(19)25(32)29(22)21-14-15(2)12-13-26-21/h4-14,20H,3H2,1-2H3/t20-/m1/s1
InChIKeyBFUASDJQBGDDLS-HXUWFJFHSA-N
XLogP3.84
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

2-[(1S)-1-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
CID 94589126
2-[(1R)-1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione
CID 1249694
2-[1-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)propyl]isoindole-1,3-dione
CID 2973126
2-[1-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]propyl]isoindole-1,3-dione
CID 2972435
2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one
CID 716780
2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one
CID 133427798
N-(2-methylpropyl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40572002
N-[(2S)-3-methylbutan-2-yl]-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40571986
2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 16601141
tert-butyl 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 40571999
2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one
CID 4996568
3-(4-methyl-2-pyridinyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 17404456

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione (CID 94589125) is 2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione is CC[C@H](c1nc2ccccc2c(=O)n1-c1cc(C)ccn1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione?
The InChIKey is BFUASDJQBGDDLS-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-3-20(28-23(30)16-8-4-5-9-17(16)24(28)31)22-27-19-11-7-6-10-18(19)25(32)29(22)21-14-15(2)12-13-26-21/h4-14,20H,3H2,1-2H3/t20-/m1/s1.
What are the key properties of 2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione?
2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione has a molecular weight of 424.46 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 94589125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).