N-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide

C21H23N5O2 — CID 162667382

IUPACN-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide
SMILESO=C(CNc1nc(N2CCOCC2)nc2ccccc12)NCc1ccccc1
InChIInChI=1S/C21H23N5O2/c27-19(22-14-16-6-2-1-3-7-16)15-23-20-17-8-4-5-9-18(17)24-21(25-20)26-10-12-28-13-11-26/h1-9H,10-15H2,(H,22,27)(H,23,24,25)
InChIKeyZYIIYWVBPHJAGE-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.19
Rot. Bonds6

About N-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide

N-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide (PubChem CID 162667382) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide
PubChem CID162667382
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide
SMILESO=C(CNc1nc(N2CCOCC2)nc2ccccc12)NCc1ccccc1
InChIInChI=1S/C21H23N5O2/c27-19(22-14-16-6-2-1-3-7-16)15-23-20-17-8-4-5-9-18(17)24-21(25-20)26-10-12-28-13-11-26/h1-9H,10-15H2,(H,22,27)(H,23,24,25)
InChIKeyZYIIYWVBPHJAGE-UHFFFAOYSA-N
XLogP2.19
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide?
The IUPAC name of N-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide (CID 162667382) is N-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide is O=C(CNc1nc(N2CCOCC2)nc2ccccc12)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide?
The InChIKey is ZYIIYWVBPHJAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-19(22-14-16-6-2-1-3-7-16)15-23-20-17-8-4-5-9-18(17)24-21(25-20)26-10-12-28-13-11-26/h1-9H,10-15H2,(H,22,27)(H,23,24,25).
What are the key properties of N-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide?
N-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide has a molecular weight of 377.45 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-morpholin-4-ylquinazolin-4-yl)amino]acetamide is sourced from PubChem (CID 162667382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).