N-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide

C20H19Cl2FN4O — CID 83282788

IUPACN-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide
SMILESCCc1nc(NCCNC(=O)Cc2ccc(F)cc2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C20H19Cl2FN4O/c1-2-17-26-19-15(10-13(21)11-16(19)22)20(27-17)25-8-7-24-18(28)9-12-3-5-14(23)6-4-12/h3-6,10-11H,2,7-9H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyPJUVYHITMLXGHJ-UHFFFAOYSA-N
MW421.30 g/mol
LogP4.41
Rot. Bonds7

About N-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide

N-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 83282788) has the molecular formula C20H19Cl2FN4O and a molecular weight of 421.30 g/mol. Its IUPAC name is N-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID83282788
Molecular FormulaC20H19Cl2FN4O
Molecular Weight421.30 g/mol
Exact Mass420.09
IUPAC NameN-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide
SMILESCCc1nc(NCCNC(=O)Cc2ccc(F)cc2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C20H19Cl2FN4O/c1-2-17-26-19-15(10-13(21)11-16(19)22)20(27-17)25-8-7-24-18(28)9-12-3-5-14(23)6-4-12/h3-6,10-11H,2,7-9H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyPJUVYHITMLXGHJ-UHFFFAOYSA-N
XLogP4.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 54.41
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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Related Compounds

1-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-3-(4-methoxyphenyl)urea
CID 83282827
3-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 83282817
N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 42809242
[4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 83282805
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
CID 69253351
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108574115
N-[2-[[N'-[(2-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111174830
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108574697
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide (CID 83282788) is N-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide is CCc1nc(NCCNC(=O)Cc2ccc(F)cc2)c2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of N-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is PJUVYHITMLXGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN4O/c1-2-17-26-19-15(10-13(21)11-16(19)22)20(27-17)25-8-7-24-18(28)9-12-3-5-14(23)6-4-12/h3-6,10-11H,2,7-9H2,1H3,(H,24,28)(H,25,26,27).
What are the key properties of N-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 421.30 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 83282788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).