2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate

C21H23FN4O3 — CID 143796166

IUPAC2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CCNC1.Nc1nc(-c2cc(F)ccc2O)nc2ccccc12
InChIInChI=1S/C14H10FN3O.C7H13NO2/c15-8-5-6-12(19)10(7-8)14-17-11-4-2-1-3-9(11)13(16)18-14;1-2-10-7(9)6-3-4-8-5-6/h1-7,19H,(H2,16,17,18);6,8H,2-5H2,1H3
InChIKeyPGJIKSNKBFVPLG-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.88
Rot. Bonds3

About 2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate

2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate (PubChem CID 143796166) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate
PubChem CID143796166
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CCNC1.Nc1nc(-c2cc(F)ccc2O)nc2ccccc12
InChIInChI=1S/C14H10FN3O.C7H13NO2/c15-8-5-6-12(19)10(7-8)14-17-11-4-2-1-3-9(11)13(16)18-14;1-2-10-7(9)6-3-4-8-5-6/h1-7,19H,(H2,16,17,18);6,8H,2-5H2,1H3
InChIKeyPGJIKSNKBFVPLG-UHFFFAOYSA-N
XLogP2.88
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate?
The IUPAC name of 2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate (CID 143796166) is 2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate.
What is the SMILES notation for 2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate?
The canonical SMILES for 2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate is CCOC(=O)C1CCNC1.Nc1nc(-c2cc(F)ccc2O)nc2ccccc12.
What is the InChIKey of 2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate?
The InChIKey is PGJIKSNKBFVPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O.C7H13NO2/c15-8-5-6-12(19)10(7-8)14-17-11-4-2-1-3-9(11)13(16)18-14;1-2-10-7(9)6-3-4-8-5-6/h1-7,19H,(H2,16,17,18);6,8H,2-5H2,1H3.
What are the key properties of 2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate?
2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate has a molecular weight of 398.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate is sourced from PubChem (CID 143796166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).