N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-pyrrolidin-1-ylacetamide

C20H20FN5O — CID 72705490

IUPACN-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-pyrrolidin-1-ylacetamide
SMILESNc1ncnc2ccc(-c3cc(F)cc(NC(=O)CN4CCCC4)c3)cc12
InChIInChI=1S/C20H20FN5O/c21-15-7-14(13-3-4-18-17(9-13)20(22)24-12-23-18)8-16(10-15)25-19(27)11-26-5-1-2-6-26/h3-4,7-10,12H,1-2,5-6,11H2,(H,25,27)(H2,22,23,24)
InChIKeyGDCGMGVDMXRLGC-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.05
Rot. Bonds4

About N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-pyrrolidin-1-ylacetamide

N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 72705490) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-pyrrolidin-1-ylacetamide
PubChem CID72705490
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC NameN-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-pyrrolidin-1-ylacetamide
SMILESNc1ncnc2ccc(-c3cc(F)cc(NC(=O)CN4CCCC4)c3)cc12
InChIInChI=1S/C20H20FN5O/c21-15-7-14(13-3-4-18-17(9-13)20(22)24-12-23-18)8-16(10-15)25-19(27)11-26-5-1-2-6-26/h3-4,7-10,12H,1-2,5-6,11H2,(H,25,27)(H2,22,23,24)
InChIKeyGDCGMGVDMXRLGC-UHFFFAOYSA-N
XLogP3.05
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-pyrrolidin-1-ylacetamide (CID 72705490) is N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-pyrrolidin-1-ylacetamide is Nc1ncnc2ccc(-c3cc(F)cc(NC(=O)CN4CCCC4)c3)cc12.
What is the InChIKey of N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is GDCGMGVDMXRLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-15-7-14(13-3-4-18-17(9-13)20(22)24-12-23-18)8-16(10-15)25-19(27)11-26-5-1-2-6-26/h3-4,7-10,12H,1-2,5-6,11H2,(H,25,27)(H2,22,23,24).
What are the key properties of N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-pyrrolidin-1-ylacetamide?
N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 365.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 72705490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).