1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one

C20H22FN5O2 — CID 138006600

IUPAC1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CC2CCC2(Nc2ncnc3ccc(F)cc23)C1
InChIInChI=1S/C20H22FN5O2/c21-14-3-4-16-15(8-14)19(23-12-22-16)24-20-6-5-13(20)9-26(11-20)18(28)10-25-7-1-2-17(25)27/h3-4,8,12-13H,1-2,5-7,9-11H2,(H,22,23,24)
InChIKeyOSKZGBUSGHEHDB-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.79
Rot. Bonds4

About 1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 138006600) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID138006600
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CC2CCC2(Nc2ncnc3ccc(F)cc23)C1
InChIInChI=1S/C20H22FN5O2/c21-14-3-4-16-15(8-14)19(23-12-22-16)24-20-6-5-13(20)9-26(11-20)18(28)10-25-7-1-2-17(25)27/h3-4,8,12-13H,1-2,5-7,9-11H2,(H,22,23,24)
InChIKeyOSKZGBUSGHEHDB-UHFFFAOYSA-N
XLogP1.79
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one (CID 138006600) is 1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CC2CCC2(Nc2ncnc3ccc(F)cc23)C1.
What is the InChIKey of 1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is OSKZGBUSGHEHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c21-14-3-4-16-15(8-14)19(23-12-22-16)24-20-6-5-13(20)9-26(11-20)18(28)10-25-7-1-2-17(25)27/h3-4,8,12-13H,1-2,5-7,9-11H2,(H,22,23,24).
What are the key properties of 1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 383.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(6-fluoroquinazolin-4-yl)amino]-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 138006600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).