N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide

C22H21FN4O2 — CID 25128264

IUPACN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)COc1ncnc2ccccc12
InChIInChI=1S/C22H21FN4O2/c1-13-7-8-17(23)21-20(13)15(14(2)27-21)9-10-24-19(28)11-29-22-16-5-3-4-6-18(16)25-12-26-22/h3-8,12,27H,9-11H2,1-2H3,(H,24,28)
InChIKeyGMNSQALJAYYCRE-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.60
Rot. Bonds6

About N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide (PubChem CID 25128264) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide
PubChem CID25128264
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)COc1ncnc2ccccc12
InChIInChI=1S/C22H21FN4O2/c1-13-7-8-17(23)21-20(13)15(14(2)27-21)9-10-24-19(28)11-29-22-16-5-3-4-6-18(16)25-12-26-22/h3-8,12,27H,9-11H2,1-2H3,(H,24,28)
InChIKeyGMNSQALJAYYCRE-UHFFFAOYSA-N
XLogP3.60
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide
CID 25127944
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-pyrrol-1-ylphenoxy)acetamide
CID 25128262
[3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate
CID 25125659
2-(3-chloro-5-fluorophenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 25125315
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-[2-[(Z)-3-imino-1-phosphanylprop-1-enyl]phenoxy]acetamide
CID 89217536
N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide
CID 78801696
N-methyl-2-quinazolin-4-yloxyacetamide
CID 2422162
2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 2457069
ethyl N-(2-quinazolin-4-yloxyacetyl)carbamate
CID 2630697
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-imidazol-1-ylbenzamide
CID 25142295
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 25173160
N-[(1R)-1-phenylethyl]-2-quinazolin-4-yloxyacetamide
CID 2392998

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide (CID 25128264) is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide is Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)COc1ncnc2ccccc12.
What is the InChIKey of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide?
The InChIKey is GMNSQALJAYYCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-13-7-8-17(23)21-20(13)15(14(2)27-21)9-10-24-19(28)11-29-22-16-5-3-4-6-18(16)25-12-26-22/h3-8,12,27H,9-11H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide?
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide has a molecular weight of 392.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 25128264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).