1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one

C26H32N6O — CID 91540604

IUPAC1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one
SMILESCCc1cccc(Nc2ncnc3cc(N4CCN(CCC5CCCN5C)C4=O)ccc23)c1
InChIInChI=1S/C26H32N6O/c1-3-19-6-4-7-20(16-19)29-25-23-10-9-22(17-24(23)27-18-28-25)32-15-14-31(26(32)33)13-11-21-8-5-12-30(21)2/h4,6-7,9-10,16-18,21H,3,5,8,11-15H2,1-2H3,(H,27,28,29)
InChIKeyDXFJGYWGHKZIIY-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.66
Rot. Bonds7

About 1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one

1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one (PubChem CID 91540604) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one
PubChem CID91540604
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC Name1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one
SMILESCCc1cccc(Nc2ncnc3cc(N4CCN(CCC5CCCN5C)C4=O)ccc23)c1
InChIInChI=1S/C26H32N6O/c1-3-19-6-4-7-20(16-19)29-25-23-10-9-22(17-24(23)27-18-28-25)32-15-14-31(26(32)33)13-11-21-8-5-12-30(21)2/h4,6-7,9-10,16-18,21H,3,5,8,11-15H2,1-2H3,(H,27,28,29)
InChIKeyDXFJGYWGHKZIIY-UHFFFAOYSA-N
XLogP4.66
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one (CID 91540604) is 1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one is CCc1cccc(Nc2ncnc3cc(N4CCN(CCC5CCCN5C)C4=O)ccc23)c1.
What is the InChIKey of 1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one?
The InChIKey is DXFJGYWGHKZIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O/c1-3-19-6-4-7-20(16-19)29-25-23-10-9-22(17-24(23)27-18-28-25)32-15-14-31(26(32)33)13-11-21-8-5-12-30(21)2/h4,6-7,9-10,16-18,21H,3,5,8,11-15H2,1-2H3,(H,27,28,29).
What are the key properties of 1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one?
1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one has a molecular weight of 444.58 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethylanilino)quinazolin-7-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 91540604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).