N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide

C21H20ClFN4O — CID 42809242

IUPACN-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCNc1nc(C2CC2)nc2cc(Cl)ccc12
InChIInChI=1S/C21H20ClFN4O/c22-15-5-8-17-18(12-15)26-20(14-3-4-14)27-21(17)25-10-9-24-19(28)11-13-1-6-16(23)7-2-13/h1-2,5-8,12,14H,3-4,9-11H2,(H,24,28)(H,25,26,27)
InChIKeyZDRZHGLLUCRGNU-UHFFFAOYSA-N
MW398.87 g/mol
LogP4.07
Rot. Bonds7

About N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide

N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 42809242) has the molecular formula C21H20ClFN4O and a molecular weight of 398.87 g/mol. Its IUPAC name is N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID42809242
Molecular FormulaC21H20ClFN4O
Molecular Weight398.87 g/mol
Exact Mass398.13
IUPAC NameN-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCNc1nc(C2CC2)nc2cc(Cl)ccc12
InChIInChI=1S/C21H20ClFN4O/c22-15-5-8-17-18(12-15)26-20(14-3-4-14)27-21(17)25-10-9-24-19(28)11-13-1-6-16(23)7-2-13/h1-2,5-8,12,14H,3-4,9-11H2,(H,24,28)(H,25,26,27)
InChIKeyZDRZHGLLUCRGNU-UHFFFAOYSA-N
XLogP4.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.07
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

3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 42809683
N-[2-[(2-cyclopropylquinazolin-4-yl)amino]ethyl]-4-fluorobenzamide
CID 42809176
3-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42809709
N-[2-[(6,8-dichloro-2-ethylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 83282788
(7-chloro-2-cyclopropylquinazolin-4-yl)hydrazine
CID 106583896
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
4-chloro-N-[2-[[1-(3-chlorophenyl)-6-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzamide
CID 42674096
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
CID 69253351
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide
CID 55616369
N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide
CID 78987135
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide
CID 108538634

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide (CID 42809242) is N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCCNc1nc(C2CC2)nc2cc(Cl)ccc12.
What is the InChIKey of N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is ZDRZHGLLUCRGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O/c22-15-5-8-17-18(12-15)26-20(14-3-4-14)27-21(17)25-10-9-24-19(28)11-13-1-6-16(23)7-2-13/h1-2,5-8,12,14H,3-4,9-11H2,(H,24,28)(H,25,26,27).
What are the key properties of N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 398.87 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 42809242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).