(4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate

C21H20N4O3 — CID 27927046

IUPAC(4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESNc1nc(COC(=O)c2cccc(CN3CCCC3=O)c2)nc2ccccc12
InChIInChI=1S/C21H20N4O3/c22-20-16-7-1-2-8-17(16)23-18(24-20)13-28-21(27)15-6-3-5-14(11-15)12-25-10-4-9-19(25)26/h1-3,5-8,11H,4,9-10,12-13H2,(H2,22,23,24)
InChIKeySLDBPBGJYKSJTQ-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.69
Rot. Bonds5

About (4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate

(4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 27927046) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
PubChem CID27927046
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name(4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
SMILESNc1nc(COC(=O)c2cccc(CN3CCCC3=O)c2)nc2ccccc12
InChIInChI=1S/C21H20N4O3/c22-20-16-7-1-2-8-17(16)23-18(24-20)13-28-21(27)15-6-3-5-14(11-15)12-25-10-4-9-19(25)26/h1-3,5-8,11H,4,9-10,12-13H2,(H2,22,23,24)
InChIKeySLDBPBGJYKSJTQ-UHFFFAOYSA-N
XLogP2.69
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate (CID 27927046) is (4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate is Nc1nc(COC(=O)c2cccc(CN3CCCC3=O)c2)nc2ccccc12.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
The InChIKey is SLDBPBGJYKSJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c22-20-16-7-1-2-8-17(16)23-18(24-20)13-28-21(27)15-6-3-5-14(11-15)12-25-10-4-9-19(25)26/h1-3,5-8,11H,4,9-10,12-13H2,(H2,22,23,24).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate?
(4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 376.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 27927046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).