N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

C21H23ClN4O2 — CID 135512179

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)NCCc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H23ClN4O2/c1-2-26(13-19-24-18-6-4-3-5-17(18)21(28)25-19)14-20(27)23-12-11-15-7-9-16(22)10-8-15/h3-10H,2,11-14H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyKRLIIJKUTXLTTJ-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.76
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (PubChem CID 135512179) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
PubChem CID135512179
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)NCCc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H23ClN4O2/c1-2-26(13-19-24-18-6-4-3-5-17(18)21(28)25-19)14-20(27)23-12-11-15-7-9-16(22)10-8-15/h3-10H,2,11-14H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyKRLIIJKUTXLTTJ-UHFFFAOYSA-N
XLogP2.76
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (CID 135512179) is N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is CCN(CC(=O)NCCc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The InChIKey is KRLIIJKUTXLTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-2-26(13-19-24-18-6-4-3-5-17(18)21(28)25-19)14-20(27)23-12-11-15-7-9-16(22)10-8-15/h3-10H,2,11-14H2,1H3,(H,23,27)(H,24,25,28).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide has a molecular weight of 398.89 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 135512179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).