N-[2-[[6-(2-chlorophenyl)quinazolin-4-yl]amino]ethyl]acetamide

C18H17ClN4O — CID 3232971

IUPACN-[2-[[6-(2-chlorophenyl)quinazolin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncnc2ccc(-c3ccccc3Cl)cc12
InChIInChI=1S/C18H17ClN4O/c1-12(24)20-8-9-21-18-15-10-13(6-7-17(15)22-11-23-18)14-4-2-3-5-16(14)19/h2-7,10-11H,8-9H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyFZWPCBBXFRKAJM-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.50
Rot. Bonds5

About N-[2-[[6-(2-chlorophenyl)quinazolin-4-yl]amino]ethyl]acetamide

N-[2-[[6-(2-chlorophenyl)quinazolin-4-yl]amino]ethyl]acetamide (PubChem CID 3232971) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[2-[[6-(2-chlorophenyl)quinazolin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-(2-chlorophenyl)quinazolin-4-yl]amino]ethyl]acetamide
PubChem CID3232971
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-[2-[[6-(2-chlorophenyl)quinazolin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncnc2ccc(-c3ccccc3Cl)cc12
InChIInChI=1S/C18H17ClN4O/c1-12(24)20-8-9-21-18-15-10-13(6-7-17(15)22-11-23-18)14-4-2-3-5-16(14)19/h2-7,10-11H,8-9H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyFZWPCBBXFRKAJM-UHFFFAOYSA-N
XLogP3.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(2-chlorophenyl)quinazolin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-(2-chlorophenyl)quinazolin-4-yl]amino]ethyl]acetamide (CID 3232971) is N-[2-[[6-(2-chlorophenyl)quinazolin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-(2-chlorophenyl)quinazolin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-(2-chlorophenyl)quinazolin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1ncnc2ccc(-c3ccccc3Cl)cc12.
What is the InChIKey of N-[2-[[6-(2-chlorophenyl)quinazolin-4-yl]amino]ethyl]acetamide?
The InChIKey is FZWPCBBXFRKAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-12(24)20-8-9-21-18-15-10-13(6-7-17(15)22-11-23-18)14-4-2-3-5-16(14)19/h2-7,10-11H,8-9H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-[[6-(2-chlorophenyl)quinazolin-4-yl]amino]ethyl]acetamide?
N-[2-[[6-(2-chlorophenyl)quinazolin-4-yl]amino]ethyl]acetamide has a molecular weight of 340.81 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(2-chlorophenyl)quinazolin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 3232971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).