1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one

C14H15BrN4O — CID 58829552

IUPAC1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCNc1ncc2cc(Br)ccc2n1
InChIInChI=1S/C14H15BrN4O/c15-11-3-4-12-10(8-11)9-17-14(18-12)16-5-7-19-6-1-2-13(19)20/h3-4,8-9H,1-2,5-7H2,(H,16,17,18)
InChIKeyVIYYYYUKNXHIHJ-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.43
Rot. Bonds4

About 1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one

1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one (PubChem CID 58829552) has the molecular formula C14H15BrN4O and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one
PubChem CID58829552
Molecular FormulaC14H15BrN4O
Molecular Weight335.20 g/mol
Exact Mass334.04
IUPAC Name1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCNc1ncc2cc(Br)ccc2n1
InChIInChI=1S/C14H15BrN4O/c15-11-3-4-12-10(8-11)9-17-14(18-12)16-5-7-19-6-1-2-13(19)20/h3-4,8-9H,1-2,5-7H2,(H,16,17,18)
InChIKeyVIYYYYUKNXHIHJ-UHFFFAOYSA-N
XLogP2.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one (CID 58829552) is 1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one is O=C1CCCN1CCNc1ncc2cc(Br)ccc2n1.
What is the InChIKey of 1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one?
The InChIKey is VIYYYYUKNXHIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c15-11-3-4-12-10(8-11)9-17-14(18-12)16-5-7-19-6-1-2-13(19)20/h3-4,8-9H,1-2,5-7H2,(H,16,17,18).
What are the key properties of 1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one?
1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one has a molecular weight of 335.20 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 58829552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).