4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one

C14H17N5O — CID 106198405

IUPAC4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one
SMILESCCNc1nc(NC2CNC(=O)C2)c2ccccc2n1
InChIInChI=1S/C14H17N5O/c1-2-15-14-18-11-6-4-3-5-10(11)13(19-14)17-9-7-12(20)16-8-9/h3-6,9H,2,7-8H2,1H3,(H,16,20)(H2,15,17,18,19)
InChIKeyDHQINGZLDGMYTK-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.36
Rot. Bonds4

About 4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one

4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one (PubChem CID 106198405) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one
PubChem CID106198405
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one
SMILESCCNc1nc(NC2CNC(=O)C2)c2ccccc2n1
InChIInChI=1S/C14H17N5O/c1-2-15-14-18-11-6-4-3-5-10(11)13(19-14)17-9-7-12(20)16-8-9/h3-6,9H,2,7-8H2,1H3,(H,16,20)(H2,15,17,18,19)
InChIKeyDHQINGZLDGMYTK-UHFFFAOYSA-N
XLogP1.36
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one (CID 106198405) is 4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one is CCNc1nc(NC2CNC(=O)C2)c2ccccc2n1.
What is the InChIKey of 4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is DHQINGZLDGMYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-2-15-14-18-11-6-4-3-5-10(11)13(19-14)17-9-7-12(20)16-8-9/h3-6,9H,2,7-8H2,1H3,(H,16,20)(H2,15,17,18,19).
What are the key properties of 4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one?
4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106198405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).