N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide

C25H22N4O3 — CID 10025480

IUPACN-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1nc2ccccc2c(=O)n1NC(=O)Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C25H22N4O3/c30-23(26-17-19-11-5-2-6-12-19)16-22-27-21-14-8-7-13-20(21)25(32)29(22)28-24(31)15-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,26,30)(H,28,31)
InChIKeyYYGUCKZYIZDWMO-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.57
Rot. Bonds7

About N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide

N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide (PubChem CID 10025480) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide
PubChem CID10025480
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1nc2ccccc2c(=O)n1NC(=O)Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C25H22N4O3/c30-23(26-17-19-11-5-2-6-12-19)16-22-27-21-14-8-7-13-20(21)25(32)29(22)28-24(31)15-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,26,30)(H,28,31)
InChIKeyYYGUCKZYIZDWMO-UHFFFAOYSA-N
XLogP2.57
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide (CID 10025480) is N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide is O=C(Cc1nc2ccccc2c(=O)n1NC(=O)Cc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide?
The InChIKey is YYGUCKZYIZDWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c30-23(26-17-19-11-5-2-6-12-19)16-22-27-21-14-8-7-13-20(21)25(32)29(22)28-24(31)15-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,26,30)(H,28,31).
What are the key properties of N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide?
N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide has a molecular weight of 426.48 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 10025480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).